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

Systemtic Name: 4-[[[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(3-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(3-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 3-hydroxy-4-[[(3-m-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,5-dien-1-one Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C=C3O

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NNC(=S)N2NC=C3C=CC(=O)C=C3O

InChI

InChI=1S/C17H16N4O3S/c1-2-24-14-5-3-4-11(8-14)16-19-20-17(25)21(16)18-10-12-6-7-13(22)9-15(12)23/h3-10,18,23H,2H2,1H3,(H,20,25)