(2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-propan-2-yloxybenzoate

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-propan-2-yloxybenzoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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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(C)C)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3S/c1-16(2)28-19-14-12-18(13-15-19)23(27)29-22-21(30-20-10-8-7-9-11-20)17(3)25-26(22)24(4,5)6/h7-16H,1-6H3