5-methyl-4-(2-methylprop-2-enyl)-2-(phenylsulfonyl)-1H-pyrazol-3-one

Systemtic Name: 5-methyl-4-(2-methylprop-2-enyl)-2-(phenylsulfonyl)-1H-pyrazol-3-one Openeye Name: 2-(benzenesulfonyl)-5-methyl-4-(2-methylallyl)-1H-pyrazol-3-one CAS Name: 2-(benzenesulfonyl)-5-methyl-4-(2-methylprop-2-enyl)-1H-pyrazol-3-one IUPAC Name: 2-(benzenesulfonyl)-5-methyl-4-(2-methylprop-2-enyl)-1H-pyrazol-3-one Traditional Name: 2-besyl-5-methyl-4-(2-methylallyl)-3-pyrazolin-3-one Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)S(=O)(=O)C2=CC=CC=C2)CC(=C)C

Isomeric SMILES

CC1=C(C(=O)N(N1)S(=O)(=O)C2=CC=CC=C2)CC(=C)C

InChI

InChI=1S/C14H16N2O3S/c1-10(2)9-13-11(3)15-16(14(13)17)20(18,19)12-7-5-4-6-8-12/h4-8,15H,1,9H2,2-3H3