[5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid [5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenylpyrazol-3-yl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylic acid [5-methyl-2-phenyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C28H22ClN3O3S MolecularWeight: 516.01058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=C(ON=C4C5=CC=CC=C5Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=C(ON=C4C5=CC=CC=C5Cl)C

InChI

InChI=1S/C28H22ClN3O3S/c1-17-13-15-21(16-14-17)36-26-18(2)30-32(20-9-5-4-6-10-20)27(26)34-28(33)24-19(3)35-31-25(24)22-11-7-8-12-23(22)29/h4-16H,1-3H3