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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 4-propan-2-yloxybenzoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic 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-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3S/c1-16(2)29-20-12-10-19(11-13-20)24(28)30-23-22(18(4)26-27(23)25(5,6)7)31-21-14-8-17(3)9-15-21/h8-16H,1-7H3