ethyl 2-butyl-3-[[4-(2-carbonochloridoylphenyl)phenyl]methyl]-5-sulfanyl-imidazole-4-carboxylate

Systemtic Name: ethyl 2-butyl-3-[[4-(2-carbonochloridoylphenyl)phenyl]methyl]-5-sulfanyl-imidazole-4-carboxylate Openeye Name: ethyl 2-butyl-3-[[4-(2-chlorocarbonylphenyl)phenyl]methyl]-5-sulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-3-[[4-(2-carbonochloridoylphenyl)phenyl]methyl]-5-mercapto-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-3-[[4-(2-carbonochloridoylphenyl)phenyl]methyl]-5-sulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-3-[4-(2-chlorocarbonylphenyl)benzyl]-5-mercapto-imidazole-4-carboxylic acid ethyl ester Formula: C24H25ClN2O3S MolecularWeight: 456.9849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)Cl)C(=O)OCC)S

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)Cl)C(=O)OCC)S

InChI

InChI=1S/C24H25ClN2O3S/c1-3-5-10-20-26-23(31)21(24(29)30-4-2)27(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)22(25)28/h6-9,11-14,31H,3-5,10,15H2,1-2H3