3,5,5-trimethyl-1-(4-methylphenyl)sulfonyl-4H-pyrazole

Systemtic Name: 3,5,5-trimethyl-1-(4-methylphenyl)sulfonyl-4H-pyrazole Openeye Name: 3,5,5-trimethyl-1-(p-tolylsulfonyl)-4H-pyrazole CAS Name: 3,5,5-trimethyl-1-(4-methylphenyl)sulfonyl-4H-pyrazole IUPAC Name: 3,5,5-trimethyl-1-(4-methylphenyl)sulfonyl-4H-pyrazole Traditional Name: 3,5,5-trimethyl-1-tosyl-2-pyrazoline Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=NN(C(C1)(C)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C13H18N2O2S/c1-10-5-7-12(8-6-10)18(16,17)15-13(3,4)9-11(2)14-15/h5-8H,9H2,1-4H3