(4Z)-4-[4-(4-bromophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: (4Z)-4-[4-(4-bromophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: (4Z)-4-[4-(4-bromophenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4Z)-4-[4-(4-bromophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: (4Z)-4-[4-(4-bromophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4Z)-4-[4-(4-bromophenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C14H10BrN3O2S MolecularWeight: 364.2171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=C3C=CC(=O)C=C3O)NNC2=S)Br

Isomeric SMILES

C1=CC(=CC=C1N2/C(=C/3\C=CC(=O)C=C3O)/NNC2=S)Br

InChI

InChI=1S/C14H10BrN3O2S/c15-8-1-3-9(4-2-8)18-13(16-17-14(18)21)11-6-5-10(19)7-12(11)20/h1-7,16,20H,(H,17,21)/b13-11+