5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-methyl-benzenesulfonic acid

Systemtic Name: 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-2-methyl-benzenesulfonic acid Openeye Name: 5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-methyl-benzenesulfonic acid CAS Name: 5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-methylbenzenesulfonic acid IUPAC Name: 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-methylbenzenesulfonic acid Traditional Name: 5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-2-methyl-besylic acid Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)S(=O)(=O)O

InChI

InChI=1S/C18H19N3O4S/c1-12-9-10-14(11-16(12)26(23,24)25)19-17-13(2)20(3)21(18(17)22)15-7-5-4-6-8-15/h4-11,19H,1-3H3,(H,23,24,25)