4-[(3Z)-3-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]naphthalene-1-carboxylic acid

Systemtic Name: 4-[(3Z)-3-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]naphthalene-1-carboxylic acid Openeye Name: 4-[(3Z)-3-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-5-thioxo-1,2,4-triazolidin-4-yl]naphthalene-1-carboxylic acid CAS Name: 4-[(3Z)-3-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]-1-naphthalenecarboxylic acid IUPAC Name: 4-[(3Z)-3-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-5-sulfanylidene-1,2,4-triazolidin-4-yl]naphthalene-1-carboxylic acid Traditional Name: 4-[(3Z)-3-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-5-thioxo-1,2,4-triazolidin-4-yl]-1-naphthoic acid Formula: C19H13N3O4S MolecularWeight: 379.38922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2N3C(=C4C=CC(=O)C=C4O)NNC3=S)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2N3/C(=C/4\C=CC(=O)C=C4O)/NNC3=S)C(=O)O

InChI

InChI=1S/C19H13N3O4S/c23-10-5-6-14(16(24)9-10)17-20-21-19(27)22(17)15-8-7-13(18(25)26)11-3-1-2-4-12(11)15/h1-9,20,24H,(H,21,27)(H,25,26)/b17-14+