(2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4,5-trimethoxybenzoate

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4,5-trimethoxybenzoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S/c1-15-21(32-17-11-9-8-10-12-17)22(26(25-15)24(2,3)4)31-23(27)16-13-18(28-5)20(30-7)19(14-16)29-6/h8-14H,1-7H3