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

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfanyl-pyrazol-3-yl] 3,4,5-triethoxybenzoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfanyl)pyrazol-3-yl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic 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] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-tert-butyl-5-methyl-4-(p-tolylthio)pyrazol-3-yl] ester Formula: C28H36N2O5S MolecularWeight: 512.66084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=C(C=C3)C

InChI

InChI=1S/C28H36N2O5S/c1-9-32-22-16-20(17-23(33-10-2)24(22)34-11-3)27(31)35-26-25(19(5)29-30(26)28(6,7)8)36-21-14-12-18(4)13-15-21/h12-17H,9-11H2,1-8H3