ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-sulfanylidene-1H-benzimidazole-4-carboxylate

Systemtic Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-sulfanylidene-1H-benzimidazole-4-carboxylate Openeye Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-thioxo-1H-benzimidazole-4-carboxylate CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-sulfanylidene-1H-benzimidazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-sulfanylidene-1H-benzimidazole-4-carboxylate Traditional Name: 3-[4-(2-cyanophenyl)benzyl]-2-thioxo-1H-benzimidazole-4-carboxylic acid ethyl ester Formula: C24H19N3O2S MolecularWeight: 413.49156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC=C1)NC(=S)N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCOC(=O)C1=C2C(=CC=C1)NC(=S)N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H19N3O2S/c1-2-29-23(28)20-8-5-9-21-22(20)27(24(30)26-21)15-16-10-12-17(13-11-16)19-7-4-3-6-18(19)14-25/h3-13H,2,15H2,1H3,(H,26,30)