ethyl 5-azanyl-4-cyano-3-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[1-(m-tolyl)imidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[1-(3-methylphenyl)-2-imidazolyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[1-(3-methylphenyl)imidazol-2-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[1-(m-tolyl)imidazol-2-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=CN2C3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=CN2C3=CC=CC(=C3)C

InChI

InChI=1S/C19H18N4O2S2/c1-3-25-18(24)16-15(14(10-20)17(21)27-16)11-26-19-22-7-8-23(19)13-6-4-5-12(2)9-13/h4-9H,3,11,21H2,1-2H3