[4-(2-cyanophenyl)phenyl]methyl 2-propylsulfanyl-1H-benzimidazole-4-carboxylate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 2-propylsulfanyl-1H-benzimidazole-4-carboxylate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 2-propylsulfanyl-1H-benzimidazole-4-carboxylate CAS Name: 2-(propylthio)-1H-benzimidazole-4-carboxylic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 2-propylsulfanyl-1H-benzimidazole-4-carboxylate Traditional Name: 2-(propylthio)-1H-benzimidazole-4-carboxylic acid [4-(2-cyanophenyl)benzyl] ester Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCSC1=NC2=C(C=CC=C2N1)C(=O)OCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

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