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

Systemtic Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-(methylsulfanylmethyl)benzimidazole-4-carboxylate Openeye Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-(methylsulfanylmethyl)benzimidazole-4-carboxylate CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-[(methylthio)methyl]-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-(methylsulfanylmethyl)benzimidazole-4-carboxylate Traditional Name: 3-[4-(2-cyanophenyl)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=C4C#N)CSC

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)CSC

InChI

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