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

Systemtic Name: 4-[[[3-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(4-dimethylaminophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(4-dimethylaminophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(4-dimethylaminophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C(=C3)O

InChI

InChI=1S/C17H17N5O2S/c1-21(2)13-6-4-12(5-7-13)16-19-20-17(25)22(16)18-10-11-3-8-14(23)15(24)9-11/h3-10,18,24H,1-2H3,(H,20,25)