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

Systemtic Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]-3-phenyl-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-3-phenyl-2H-oxadiazol-3-ium-5-one CAS Name: 4-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-3-phenyl-2H-oxadiazol-3-ium-5-one IUPAC Name: 4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]-3-phenyl-2H-oxadiazol-3-ium-5-one Traditional Name: 4-[2-(1H-benzimidazol-2-ylthio)acetyl]-3-phenyl-2H-oxadiazol-3-ium-5-one Formula: C17H13N4O3S+ MolecularWeight: 353.37512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(C(=O)ON2)C(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(C(=O)ON2)C(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C17H12N4O3S/c22-14(10-25-17-18-12-8-4-5-9-13(12)19-17)15-16(23)24-20-21(15)11-6-2-1-3-7-11/h1-9H,10H2,(H-,18,19,20,22,23)/p+1