3-[(2E)-2-(1-oxidanylidene-4-sulfo-naphthalen-2-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid

Systemtic Name: 3-[(2E)-2-(1-oxidanylidene-4-sulfo-naphthalen-2-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid Openeye Name: 3-[(2E)-2-(1-oxo-4-sulfo-2-naphthylidene)hydrazino]-1H-1,2,4-triazole-5-carboxylic acid CAS Name: 3-[(2E)-2-(1-oxo-4-sulfo-2-naphthalenylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid IUPAC Name: 3-[(2E)-2-(1-oxo-4-sulfonaphthalen-2-ylidene)hydrazinyl]-1H-1,2,4-triazole-5-carboxylic acid Traditional Name: 3-[(N'E)-N'-(1-keto-4-sulfo-2-naphthylidene)hydrazino]-1H-1,2,4-triazole-5-carboxylic acid Formula: C13H9N5O6S MolecularWeight: 363.30546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=NNC3=NNC(=N3)C(=O)O)C2=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C/C(=N\NC3=NNC(=N3)C(=O)O)/C2=O)S(=O)(=O)O

InChI

InChI=1S/C13H9N5O6S/c19-10-7-4-2-1-3-6(7)9(25(22,23)24)5-8(10)15-17-13-14-11(12(20)21)16-18-13/h1-5H,(H,20,21)(H,22,23,24)(H2,14,16,17,18)/b15-8+