4-(4-azanyl-2-methyl-5-oxidanylidene-3-phenyl-pyrazol-1-yl)benzenesulfonic acid

Systemtic Name: 4-(4-azanyl-2-methyl-5-oxidanylidene-3-phenyl-pyrazol-1-yl)benzenesulfonic acid Openeye Name: 4-(4-amino-2-methyl-5-oxo-3-phenyl-pyrazol-1-yl)benzenesulfonic acid CAS Name: 4-(4-amino-2-methyl-5-oxo-3-phenyl-1-pyrazolyl)benzenesulfonic acid IUPAC Name: 4-(4-amino-2-methyl-5-oxo-3-phenylpyrazol-1-yl)benzenesulfonic acid Traditional Name: 4-(4-amino-5-keto-2-methyl-3-phenyl-3-pyrazolin-1-yl)besylic acid Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=C(C=C2)S(=O)(=O)O)N)C3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=C(C=C2)S(=O)(=O)O)N)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O4S/c1-18-15(11-5-3-2-4-6-11)14(17)16(20)19(18)12-7-9-13(10-8-12)24(21,22)23/h2-10H,17H2,1H3,(H,21,22,23)