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

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] butanoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] butanoate CAS Name: butanoic acid [5-methyl-4-[(4-methylphenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenylpyrazol-3-yl] butanoate Traditional Name: butyric 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:

CCCC(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)SC3=CC=C(C=C3)C

Isomeric SMILES

CCCC(=O)OC1=C(C(=NN1C2=CC=CC=C2)C)SC3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O2S/c1-4-8-19(24)25-21-20(26-18-13-11-15(2)12-14-18)16(3)22-23(21)17-9-6-5-7-10-17/h5-7,9-14H,4,8H2,1-3H3