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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2NNC(=S)N2C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=O)C=CC1=C2NNC(=S)N2C3=CC=C(C=C3)Br

InChI

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