2-[2-(1-carbamothioyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)hydrazinyl]naphthalene-1-sulfonic acid

Systemtic Name: 2-[2-(1-carbamothioyl-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene)hydrazinyl]naphthalene-1-sulfonic acid Openeye Name: 2-[2-(1-carbamothioyl-5-oxo-3-phenyl-pyrazol-4-ylidene)hydrazino]naphthalene-1-sulfonic acid CAS Name: 2-[2-(1-carbamothioyl-5-oxo-3-phenyl-4-pyrazolylidene)hydrazinyl]-1-naphthalenesulfonic acid IUPAC Name: 2-[2-(1-carbamothioyl-5-oxo-3-phenylpyrazol-4-ylidene)hydrazinyl]naphthalene-1-sulfonic acid Traditional Name: 2-[N'-(5-keto-3-phenyl-1-thiocarbamoyl-2-pyrazolin-4-ylidene)hydrazino]naphthalene-1-sulfonic acid Formula: C20H15N5O4S2 MolecularWeight: 453.4942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)C(=S)N

InChI

InChI=1S/C20H15N5O4S2/c21-20(30)25-19(26)17(16(24-25)13-7-2-1-3-8-13)23-22-15-11-10-12-6-4-5-9-14(12)18(15)31(27,28)29/h1-11,22H,(H2,21,30)(H,27,28,29)