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

Systemtic Name: (4Z)-4-[4-(4-butyl-2-methyl-phenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[4-(4-butyl-2-methyl-phenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[4-(4-butyl-2-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[4-(4-butyl-2-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[4-(4-butyl-2-methyl-phenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)N2C(=C3C=CC(=O)C=C3O)NNC2=S)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)N2/C(=C/3\C=CC(=O)C=C3O)/NNC2=S)C

InChI

InChI=1S/C19H21N3O2S/c1-3-4-5-13-6-9-16(12(2)10-13)22-18(20-21-19(22)25)15-8-7-14(23)11-17(15)24/h6-11,20,24H,3-5H2,1-2H3,(H,21,25)/b18-15+