4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid; 5-methyl-2-phenyl-1H-pyrazol-3-one

Systemtic Name: 4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)benzenesulfonic acid; 5-methyl-2-phenyl-1H-pyrazol-3-one Openeye Name: 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; 5-methyl-2-phenyl-1H-pyrazol-3-one CAS Name: 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; 5-methyl-2-phenyl-1H-pyrazol-3-one IUPAC Name: 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid; 5-methyl-2-phenyl-1H-pyrazol-3-one Traditional Name: 4-(5-keto-3-methyl-3-pyrazolin-1-yl)besylic acid; 5-methyl-2-phenyl-3-pyrazolin-3-one Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O4S.C10H10N2O/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16;1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6,11H,1H3,(H,14,15,16);2-7,11H,1H3