(3-cyano-4-phenyl-phenyl)methyl 2-(methylsulfanylmethyl)-1H-benzimidazole-4-carboxylate

Systemtic Name: (3-cyano-4-phenyl-phenyl)methyl 2-(methylsulfanylmethyl)-1H-benzimidazole-4-carboxylate Openeye Name: (3-cyano-4-phenyl-phenyl)methyl 2-(methylsulfanylmethyl)-1H-benzimidazole-4-carboxylate CAS Name: 2-[(methylthio)methyl]-1H-benzimidazole-4-carboxylic acid (3-cyano-4-phenylphenyl)methyl ester IUPAC Name: (3-cyano-4-phenylphenyl)methyl 2-(methylsulfanylmethyl)-1H-benzimidazole-4-carboxylate Traditional Name: 2-[(methylthio)methyl]-1H-benzimidazole-4-carboxylic acid (3-cyano-4-phenyl-benzyl) ester Formula: C24H19N3O2S MolecularWeight: 413.49156

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CSCC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC(=C(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C24H19N3O2S/c1-30-15-22-26-21-9-5-8-20(23(21)27-22)24(28)29-14-16-10-11-19(18(12-16)13-25)17-6-3-2-4-7-17/h2-12H,14-15H2,1H3,(H,26,27)