4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-3-(4-bromophenyl)-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-3-(4-bromophenyl)-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-3-(4-bromophenyl)-2H-oxadiazol-3-ium-5-one CAS Name: 4-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-3-(4-bromophenyl)-2H-oxadiazol-3-ium-5-one IUPAC Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-3-(4-bromophenyl)-2H-oxadiazol-3-ium-5-one Traditional Name: 4-[2-(1H-benzimidazol-2-ylthio)acetyl]-3-(4-bromophenyl)-2H-oxadiazol-3-ium-5-one Formula: C17H12BrN4O3S+ MolecularWeight: 432.27118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=[N+](NOC3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=[N+](NOC3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H11BrN4O3S/c18-10-5-7-11(8-6-10)22-15(16(24)25-21-22)14(23)9-26-17-19-12-3-1-2-4-13(12)20-17/h1-8H,9H2,(H-,19,20,21,23,24)/p+1