methyl 3-[(3-cyano-4-phenyl-phenyl)methyl]-2-(methylsulfanylmethyl)benzimidazole-4-carboxylate

Systemtic Name: methyl 3-[(3-cyano-4-phenyl-phenyl)methyl]-2-(methylsulfanylmethyl)benzimidazole-4-carboxylate Openeye Name: methyl 3-[(3-cyano-4-phenyl-phenyl)methyl]-2-(methylsulfanylmethyl)benzimidazole-4-carboxylate CAS Name: 3-[(3-cyano-4-phenylphenyl)methyl]-2-[(methylthio)methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-cyano-4-phenylphenyl)methyl]-2-(methylsulfanylmethyl)benzimidazole-4-carboxylate Traditional Name: 3-(3-cyano-4-phenyl-benzyl)-2-[(methylthio)methyl]benzimidazole-4-carboxylic acid methyl ester Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N)CSC

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC(=C(C=C3)C4=CC=CC=C4)C#N)CSC

InChI

InChI=1S/C25H21N3O2S/c1-30-25(29)21-9-6-10-22-24(21)28(23(27-22)16-31-2)15-17-11-12-20(19(13-17)14-26)18-7-4-3-5-8-18/h3-13H,15-16H2,1-2H3