[5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-methylpropanoate

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-methylpropanoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenylpyrazol-3-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [5-methyl-2-phenyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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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)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C(C)C

InChI

InChI=1S/C21H22N2O2S/c1-14(2)21(24)25-20-19(26-18-12-10-15(3)11-13-18)16(4)22-23(20)17-8-6-5-7-9-17/h5-14H,1-4H3