(4Z)-4-[4-(2-ethyl-6-methyl-phenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[4-(2-ethyl-6-methyl-phenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[4-(2-ethyl-6-methyl-phenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[4-(2-ethyl-6-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[4-(2-ethyl-6-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[4-(2-ethyl-6-methyl-phenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=C3C=CC(=O)C=C3O)NNC2=S)C

Isomeric SMILES

CCC1=CC=CC(=C1N2/C(=C/3\C=CC(=O)C=C3O)/NNC2=S)C

InChI

InChI=1S/C17H17N3O2S/c1-3-11-6-4-5-10(2)15(11)20-16(18-19-17(20)23)13-8-7-12(21)9-14(13)22/h4-9,18,22H,3H2,1-2H3,(H,19,23)/b16-13+