Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 274.34146 [g/mol] Molecular Formula C13H14N4OS XLogP 1.2 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 4 Tautomer Count 12 Exact Mass 274.088832 MonoIsotopic Mass 274.088832 Topological Polar Surface Area 91.3 Heavy Atom Count 19 Formal Charge 0 Complexity 439 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-cyano-3-[[[(2,
6-dimethylphenyl)amino]-sulfanylmethylidene]amino]prop-2-enamide
Canonical SMILES: CC1=C(C(=CC=C1)C)NC(=NC=C(C#N)C(=O)N)S
InChI: InChI=1/C13H14N4OS/c1-8-4-3-5-9(2)11(8)17-13(19)16-7-10(6-14)12(15)18/
h3-5,7H,1-2H3,(H2,15,18)(H2,16,17,19)/f/h17,19H,15H2/b10-7u,16-13-
Other Chemicals
- ()-Cuparene,(+)-Cuparene,28255_FLUKA,EINECS 241-061-5,(R)-1-(p-Tolyl)-1,2,2-trimethylcyclopentane,(R)-(+)-p-(1
- 1-(2-Chloroethyl)-3-(m-tolyl)urea,NSC 106517,BRN 2836333,NSC106517,Urea, 1-(2-chloroethyl)-3-(m-tolyl)-,LS-159
- BRN 0210120,NSC125762,5-Methyl-5-(1-methylpentyl)barbituric acid,LS-24623,4-24-00-01950 (Beilstein Handbook Re
- Glucinan ,EINECS 247-177-2,Metformin p-chlorophenoxyacetate (salt),(p-Chlorophenoxy)acetic acid, compound with
- ZINC04262453,ZINC04521178,ZINC06661430,2446-83-5,
- m-Phenylglycine mustard,WLN: QVYZR CN2G2G,NSC 260525,BRN 2815231,NSC260525,2-(m-(Bis(2-chloroethyl)amino)pheny
- N2,N4,N6-TRIALLYLMELAMINE,30360-21-5,
- uridylate,Uridylic acid ,uridine-phosphate,uridine-monophosphate,uridine-5'-phosphate,uridine-5'-monop
- 5-Methyl-5-nitrohexan-2-one,2-Hexanone, 5-methyl-5-nitro-,NSC16186,EINECS 225-006-2,4604-49-3,
- Stearyl behenate,Octadecyl docosanoate,Behenic acid stearyl ester,B7884_SIGMA,Docosanoic acid, octadecyl ester
- IUPAC Name: 3-(3-iodophenyl)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylimidazol-4-,one,Canonical SMILES: COC1
- Glycylnorvaline,Glycyl-dl-norvaline,N-(Aminoacetyl)norvaline,Maybridge1_006724,STOCK1N-06756,EINECS 242-923-3,
- LS-141207,2-Phenyl-3-(2-(1-(1-pyrrolidinylmethyl)-1H-benzimidazol-2-yl)phenyl)-4(3H)-quinazolinone,4(3H)-Quina
- EINECS 256-853-6,4-(Ethyl(2-methoxyethyl)ammonio)-o-toluidinium di(toluene-4-sulphonate),1,4-Benzenediamine, N
- Sulfametrole ,Sulfametrole [BAN:INN],Sulfametrol [INN-Spanish],Sulfametrolum [INN-Latin],EINECS 251-288-1,N1-(
- 2-Amino-3-methylbenzoic acid ,3-Methylanthranilic acid,3-Methylanthranil acid,3-Methyl-2-aminobenzoic acid,m-T
- Toluidine Blue ,Blutene chloride,Tolonium,Blutene,Gabilin,Menodin,Tolazul,Klot,Toluidine Blue O ,Toloni chlori
- LS-50756,S-(N-(N-(Adamantyl-1-methyl)-2-aminoethyl)-3-aminopropyl)isothiouronium trihydrobromide,Carbamimidoth
- Dctmcp ,NSC139886,NSC 139886,1,1-Dichloro-2,2,3,3-tetramethylcyclopropane ,Cyclopropane, 1,1-dichloro-2,2,3,3-
- IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6,,8-bis(3-methylbut-2-enyl)chroman-4-one,Canonical SMILES: C
- XYLOPROPAMINE SULFATE,EINECS 238-579-9,3,4-Dimethylphenisopropylamine sulfate,LS-103753,Bis(alpha,3,4-trimethy
- GC 46,LS-18749,Oxalylbis(iminoethylene)bis(triethylammonium iodide),AMMONIUM, OXALYLBIS(IMINOETHYLENE)BIS(TRIE
- LS-36012,2-Diethylaminoethyl 4-amino-3-propoxybenzoate hydrochloride,4-Amino-3-propoxy-benzoic acid 2-(diethyl
- Bisphenol A diacetate,TimTec1_002277,Oprea1_267995,452564_ALDRICH,2,2'-Bis(p-acetoxyphenyl)propane,EINECS
- alpha,2,4,5-Tetramethylstyrene,1-Isopropenyl-2,4,5-trimethylbenzene,Benzene, 1,2,4-trimethyl-5-(1-methyletheny
- IUPAC Name: 5-(2-phenylethyl)-5-propyl-1,3-diazinane-2,4,6-trione,Canonical SMILES: CCCC1(C(=O)NC(=O)NC1=O)CCC
- Niagara 16388 ,Propyl-2-propynylphenylphosphonate,FMC-16388,NIA 16,388,BRN 2848621,AI3-28923,O-n-Propyl O-(2-p
- 9A-FLUORO-16A-METHYLPREGN-4-ENE-11B,17A,21-TRIOL-20-ONE-(3,2-C)PYRAZOLE,13913-98-9,
- IUPAC Name: N-(3-chlorophenyl)-N-[3-(2-diethylaminoethylamino)-3-oxopropyl]-4-,methoxybenzamide,Canonical SMIL