(4-phenylphenyl)methyl 2-butyl-1-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: (4-phenylphenyl)methyl 2-butyl-1-methylsulfanyl-imidazole-4-carboxylate Openeye Name: (4-phenylphenyl)methyl 2-butyl-1-methylsulfanyl-imidazole-4-carboxylate CAS Name: 2-butyl-1-(methylthio)-4-imidazolecarboxylic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl 2-butyl-1-methylsulfanylimidazole-4-carboxylate Traditional Name: 2-butyl-1-(methylthio)imidazole-4-carboxylic acid (4-phenylbenzyl) ester Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1SC)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=NC(=CN1SC)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O2S/c1-3-4-10-21-23-20(15-24(21)27-2)22(25)26-16-17-11-13-19(14-12-17)18-8-6-5-7-9-18/h5-9,11-15H,3-4,10,16H2,1-2H3