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

Systemtic Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-propylsulfanyl-benzimidazole-4-carboxylate Openeye Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-propylsulfanyl-benzimidazole-4-carboxylate CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-(propylthio)-4-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-propylsulfanylbenzimidazole-4-carboxylate Traditional Name: 3-[4-(2-cyanophenyl)benzyl]-2-(propylthio)benzimidazole-4-carboxylic acid methyl ester Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC

Isomeric SMILES

CCCSC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C(=O)OC

InChI

InChI=1S/C26H23N3O2S/c1-3-15-32-26-28-23-10-6-9-22(25(30)31-2)24(23)29(26)17-18-11-13-19(14-12-18)21-8-5-4-7-20(21)16-27/h4-14H,3,15,17H2,1-2H3