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2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(3-nitrophenyl)ethanone

2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(3-nitrophenyl)ethanone

Systemtic Name:2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(3-nitrophenyl)ethanone
Openeye Name:2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(3-nitrophenyl)ethanone
CAS Name:2-(1H-benzimidazol-3-ium-2-ylthio)-1-(3-nitrophenyl)ethanone
IUPAC Name:2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(3-nitrophenyl)ethanone
Traditional Name:2-(1H-benzimidazol-3-ium-2-ylthio)-1-(3-nitrophenyl)ethanone
Formula: C15H12N3O3S+
MolecularWeight: 314.33908
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C15H11N3O3S/c19-14(10-4-3-5-11(8-10)18(20)21)9-22-15-16-12-6-1-2-7-13(12)17-15/h1-8H,9H2,(H,16,17)/p+1


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