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

Systemtic Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-3-(4-bromophenyl)-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-3-(4-bromophenyl)oxadiazol-3-ium-5-olate CAS Name: 4-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-3-(4-bromophenyl)-5-oxadiazol-3-iumolate IUPAC Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-3-(4-bromophenyl)oxadiazol-3-ium-5-olate Traditional Name: 4-[2-(1H-benzimidazol-2-ylthio)acetyl]-3-(4-bromophenyl)oxadiazol-3-ium-5-olate Formula: C17H11BrN4O3S MolecularWeight: 431.26324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=C(ON=[N+]3C4=CC=C(C=C4)Br)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=C(ON=[N+]3C4=CC=C(C=C4)Br)[O-]

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)