6-[4-(4-bromophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[4-(4-bromophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-(4-bromophenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[4-(4-bromophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[4-(4-bromophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-(4-bromophenyl)-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C14H10BrN3OS MolecularWeight: 348.2177

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2NNC(=S)N2C3=CC=C(C=C3)Br)C(=O)C=C1

Isomeric SMILES

C1=CC(=C2NNC(=S)N2C3=CC=C(C=C3)Br)C(=O)C=C1

InChI

InChI=1S/C14H10BrN3OS/c15-9-5-7-10(8-6-9)18-13(16-17-14(18)20)11-3-1-2-4-12(11)19/h1-8,16H,(H,17,20)