4-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]benzenesulfonate

Systemtic Name: 4-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]benzenesulfonate Openeye Name: 4-[(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methylamino]benzenesulfonate CAS Name: 4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methylamino]benzenesulfonate IUPAC Name: 4-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]benzenesulfonate Traditional Name: 4-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methylamino]besylate Formula: C17H14N3O4S- MolecularWeight: 356.37576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1=CNC2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O4S/c1-12-16(17(21)20(19-12)14-5-3-2-4-6-14)11-18-13-7-9-15(10-8-13)25(22,23)24/h2-11,18H,1H3,(H,22,23,24)/p-1