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

Systemtic Name: 4-[[[3-(3-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[3-(3-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[3-(3-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[3-(3-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]amino]methylidene]-2-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[3-(3-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]amino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one Formula: C15H11BrN4O2S MolecularWeight: 391.24244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN4O2S/c16-11-3-1-2-10(7-11)14-18-19-15(23)20(14)17-8-9-4-5-12(21)13(22)6-9/h1-8,17,22H,(H,19,23)