4-[[[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(2-cyclohexylethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(2-cyclohexylethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)O

Isomeric SMILES

C1CCC(CC1)CCC2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)O

InChI

InChI=1S/C17H22N4O2S/c22-14-8-6-13(10-15(14)23)11-18-21-16(19-20-17(21)24)9-7-12-4-2-1-3-5-12/h6,8,10-12,18,23H,1-5,7,9H2,(H,20,24)