6-[[[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[3-(2-cyclohexylethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-hydroxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-hydroxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[3-(2-cyclohexylethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-hydroxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[3-(2-cyclohexylethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-hydroxy-cyclohexa-2,4-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=C(C3=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c22-14-8-4-7-13(16(14)23)11-18-21-15(19-20-17(21)24)10-9-12-5-2-1-3-6-12/h4,7-8,11-12,18,22H,1-3,5-6,9-10H2,(H,20,24)