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

Systemtic Name: [5-methyl-4-(4-methylphenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2-methylbenzoate Openeye Name: [5-methyl-2-phenyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic 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-methylbenzoate Traditional Name: 2-methylbenzoic acid [5-methyl-2-phenyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C25H22N2O2S MolecularWeight: 414.51938

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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=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4C

InChI

InChI=1S/C25H22N2O2S/c1-17-13-15-21(16-14-17)30-23-19(3)26-27(20-10-5-4-6-11-20)24(23)29-25(28)22-12-8-7-9-18(22)2/h4-16H,1-3H3