(4Z)-4-(4-isoquinolin-5-yl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-(4-isoquinolin-5-yl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-3-hydroxy-4-[4-(5-isoquinolyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: (4Z)-3-hydroxy-4-[4-(5-isoquinolinyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-3-hydroxy-4-(4-isoquinolin-5-yl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: (4Z)-3-hydroxy-4-[4-(5-isoquinolyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)N3C(=C4C=CC(=O)C=C4O)NNC3=S

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)N3/C(=C/4\C=CC(=O)C=C4O)/NNC3=S

InChI

InChI=1S/C17H12N4O2S/c22-11-4-5-13(15(23)8-11)16-19-20-17(24)21(16)14-3-1-2-10-9-18-7-6-12(10)14/h1-9,19,23H,(H,20,24)/b16-13+