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

Systemtic Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-(ethylsulfanylmethyl)benzimidazole-4-carboxylate Openeye Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-(ethylsulfanylmethyl)benzimidazole-4-carboxylate CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-[(ethylthio)methyl]-4-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-(ethylsulfanylmethyl)benzimidazole-4-carboxylate Traditional Name: 3-[4-(2-cyanophenyl)benzyl]-2-[(ethylthio)methyl]benzimidazole-4-carboxylic acid ethyl ester Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)CSCC

Isomeric SMILES

CCOC(=O)C1=C2C(=CC=C1)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4C#N)CSCC

InChI

InChI=1S/C27H25N3O2S/c1-3-32-27(31)23-10-7-11-24-26(23)30(25(29-24)18-33-4-2)17-19-12-14-20(15-13-19)22-9-6-5-8-21(22)16-28/h5-15H,3-4,17-18H2,1-2H3