[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H17BrFN3O3S MolecularWeight: 478.334683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C20H17BrFN3O3S/c1-12-9-13(21)3-8-16(12)24-18(26)11-28-19(27)17-10-23-20(29-2)25(17)15-6-4-14(22)5-7-15/h3-10H,11H2,1-2H3,(H,24,26)