(4Z)-4-[4-(2-methylsulfanylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[4-(2-methylsulfanylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-3-hydroxy-4-[4-(2-methylsulfanylphenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: (4Z)-3-hydroxy-4-[4-[2-(methylthio)phenyl]-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-3-hydroxy-4-[4-(2-methylsulfanylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: (4Z)-3-hydroxy-4-[4-[2-(methylthio)phenyl]-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C15H13N3O2S2 MolecularWeight: 331.41262

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2C(=C3C=CC(=O)C=C3O)NNC2=S

Isomeric SMILES

CSC1=CC=CC=C1N2/C(=C/3\C=CC(=O)C=C3O)/NNC2=S

InChI

InChI=1S/C15H13N3O2S2/c1-22-13-5-3-2-4-11(13)18-14(16-17-15(18)21)10-7-6-9(19)8-12(10)20/h2-8,16,20H,1H3,(H,17,21)/b14-10+