(4-tert-butyl-5-ethanoyl-1H-pyrazol-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-tert-butyl-5-ethanoyl-1H-pyrazol-3-yl) 4-methylbenzenesulfonate Openeye Name: (5-acetyl-4-tert-butyl-1H-pyrazol-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-acetyl-4-tert-butyl-1H-pyrazol-3-yl) ester IUPAC Name: (5-acetyl-4-tert-butyl-1H-pyrazol-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-acetyl-4-tert-butyl-1H-pyrazol-3-yl) ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=NNC(=C2C(C)(C)C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=NNC(=C2C(C)(C)C)C(=O)C

InChI

InChI=1S/C16H20N2O4S/c1-10-6-8-12(9-7-10)23(20,21)22-15-13(16(3,4)5)14(11(2)19)17-18-15/h6-9H,1-5H3,(H,17,18)