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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(1-methyl-5-phenyl-imidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(1-methyl-5-phenyl-2-imidazolyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(1-methyl-5-phenyl-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=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NC=C(N2C)C3=CC=CC=C3

InChI

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