1-(3-nitrophenyl)-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone hydrobromide

Systemtic Name: 1-(3-nitrophenyl)-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone hydrobromide Openeye Name: 1-(3-nitrophenyl)-2-(2-thioxo-3H-benzimidazol-1-yl)ethanone hydrobromide CAS Name: 1-(3-nitrophenyl)-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone hydrobromide IUPAC Name: 1-(3-nitrophenyl)-2-(2-sulfanylidene-3H-benzimidazol-1-yl)ethanone hydrobromide Traditional Name: 1-(3-nitrophenyl)-2-(2-thioxo-3H-benzimidazol-1-yl)ethanone hydrobromide Formula: C15H12BrN3O3S MolecularWeight: 394.24308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=S)N2CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].Br

Isomeric SMILES

C1=CC=C2C(=C1)NC(=S)N2CC(=O)C3=CC(=CC=C3)[N+](=O)[O-].Br

InChI

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