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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 4-butoxybenzoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=C(C=C3)C

InChI

InChI=1S/C26H32N2O3S/c1-7-8-17-30-21-13-11-20(12-14-21)25(29)31-24-23(19(3)27-28(24)26(4,5)6)32-22-15-9-18(2)10-16-22/h9-16H,7-8,17H2,1-6H3