2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(3-nitrophenyl)ethanone hydrobromide

Systemtic Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(3-nitrophenyl)ethanone hydrobromide Openeye Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(3-nitrophenyl)ethanone hydrobromide CAS Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-(3-nitrophenyl)ethanone hydrobromide IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(3-nitrophenyl)ethanone hydrobromide Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-(3-nitrophenyl)ethanone hydrobromide Formula: C17H16BrN3O4S MolecularWeight: 438.29564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-].Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-].Br

InChI

InChI=1S/C17H15N3O4S.BrH/c1-2-24-13-6-7-14-15(9-13)19-17(18-14)25-10-16(21)11-4-3-5-12(8-11)20(22)23;/h3-9H,2,10H2,1H3,(H,18,19);1H