tert-butyl 5-[(4-fluorophenyl)carbonylamino]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: tert-butyl 5-[(4-fluorophenyl)carbonylamino]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: tert-butyl 5-[(4-fluorobenzoyl)amino]-2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 5-[[(4-fluorophenyl)-oxomethyl]amino]-2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(4-fluorobenzoyl)amino]-2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 5-[(4-fluorobenzoyl)amino]-2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid tert-butyl ester Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O3S/c1-22(2,3)29-20(28)17-18(24-19(27)14-10-12-15(23)13-11-14)25-21(30-4)26(17)16-8-6-5-7-9-16/h5-13H,1-4H3,(H,24,27)