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

Systemtic Name: 2-[(2E)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]naphthalene-1-sulfonate Openeye Name: 2-[(2E)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]naphthalene-1-sulfonate CAS Name: 2-[(2E)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]-1-naphthalenesulfonate IUPAC Name: 2-[(2E)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]naphthalene-1-sulfonate Traditional Name: 2-[(N'E)-N'-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]naphthalene-1-sulfonate Formula: C20H15N4O4S- MolecularWeight: 407.4225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O4S/c1-13-18(20(25)24(23-13)15-8-3-2-4-9-15)22-21-17-12-11-14-7-5-6-10-16(14)19(17)29(26,27)28/h2-12,21H,1H3,(H,26,27,28)/p-1/b22-18+