(4Z)-4-(4-naphthalen-1-yl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: (4Z)-4-(4-naphthalen-1-yl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: (4Z)-6-hydroxy-4-[4-(1-naphthyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]-3-oxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: (4Z)-6-hydroxy-4-[4-(1-naphthalenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-oxo-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: (4Z)-6-hydroxy-4-(4-naphthalen-1-yl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-3-oxocyclohexa-1,5-diene-1-carboxylic acid Traditional Name: (4Z)-6-hydroxy-3-keto-4-[4-(1-naphthyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-1,5-diene-1-carboxylic acid Formula: C19H13N3O4S MolecularWeight: 379.38922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=C4C=C(C(=CC4=O)C(=O)O)O)NNC3=S

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3/C(=C/4\C=C(C(=CC4=O)C(=O)O)O)/NNC3=S

InChI

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