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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 4-methylbenzoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-tert-butyl-5-methyl-4-[(4-methylphenyl)thio]-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanylpyrazol-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=C(C=C3)C

InChI

InChI=1S/C23H26N2O2S/c1-15-7-11-18(12-8-15)22(26)27-21-20(17(3)24-25(21)23(4,5)6)28-19-13-9-16(2)10-14-19/h7-14H,1-6H3