ethyl 2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: ethyl 2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-5-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-5-(methylthio)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(2-cyanophenyl)benzyl]-5-(methylthio)imidazole-4-carboxylic acid ethyl ester Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OCC)SC

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OCC)SC

InChI

InChI=1S/C25H27N3O2S/c1-4-6-11-22-27-24(31-3)23(25(29)30-5-2)28(22)17-18-12-14-19(15-13-18)21-10-8-7-9-20(21)16-26/h7-10,12-15H,4-6,11,17H2,1-3H3