2-cyanopropan-2-yl 5-[(4-chlorophenyl)carbonylamino]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: 2-cyanopropan-2-yl 5-[(4-chlorophenyl)carbonylamino]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: (1-cyano-1-methyl-ethyl) 5-[(4-chlorobenzoyl)amino]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 5-[[(4-chlorophenyl)-oxomethyl]amino]-2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid 2-cyanopropan-2-yl ester IUPAC Name: 2-cyanopropan-2-yl 5-[(4-chlorobenzoyl)amino]-2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 5-[(4-chlorobenzoyl)amino]-2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid (1-cyano-1-methyl-ethyl) ester Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)SC)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C#N)OC(=O)C1=C(N=C(N1C2=CC=CC=C2)SC)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H19ClN4O3S/c1-22(2,13-24)30-20(29)17-18(25-19(28)14-9-11-15(23)12-10-14)26-21(31-3)27(17)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,25,28)