[2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 3,5-dimethoxybenzoate

Systemtic Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 3,5-dimethoxybenzoate Openeye Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methyl-pyrazol-3-yl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-4-(4-chlorophenyl)sulfanyl-5-methylpyrazol-3-yl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-tert-butyl-4-[(4-chlorophenyl)thio]-5-methyl-pyrazol-3-yl] ester Formula: C23H25ClN2O4S MolecularWeight: 460.9736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC(=CC(=C3)OC)OC)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=C(C=C2)Cl)OC(=O)C3=CC(=CC(=C3)OC)OC)C(C)(C)C

InChI

InChI=1S/C23H25ClN2O4S/c1-14-20(31-19-9-7-16(24)8-10-19)21(26(25-14)23(2,3)4)30-22(27)15-11-17(28-5)13-18(12-15)29-6/h7-13H,1-6H3