4-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]benzenesulfinate

Systemtic Name: 4-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]benzenesulfinate Openeye Name: 4-[(2E)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]benzenesulfinate CAS Name: 4-[(2E)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]benzenesulfinate IUPAC Name: 4-[(2E)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]benzenesulfinate Traditional Name: 4-[(N'E)-N'-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]benzenesulfinate Formula: C16H13N4O3S- MolecularWeight: 341.36442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)S(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC=C(C=C2)S(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H14N4O3S/c1-11-15(16(21)20(19-11)13-5-3-2-4-6-13)18-17-12-7-9-14(10-8-12)24(22)23/h2-10,17H,1H3,(H,22,23)/p-1/b18-15+