2-[5-methoxy-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-1-(3-nitrophenyl)ethanone hydrobromide

Systemtic Name: 2-[5-methoxy-1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-1-(3-nitrophenyl)ethanone hydrobromide Openeye Name: 2-(1-benzyl-5-methoxy-benzimidazol-2-yl)sulfanyl-1-(3-nitrophenyl)ethanone hydrobromide CAS Name: 2-[[5-methoxy-1-(phenylmethyl)-2-benzimidazolyl]thio]-1-(3-nitrophenyl)ethanone hydrobromide IUPAC Name: 2-(1-benzyl-5-methoxybenzimidazol-2-yl)sulfanyl-1-(3-nitrophenyl)ethanone hydrobromide Traditional Name: 2-[(1-benzyl-5-methoxy-benzimidazol-2-yl)thio]-1-(3-nitrophenyl)ethanone hydrobromide Formula: C23H20BrN3O4S MolecularWeight: 514.3916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4.Br

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4.Br

InChI

InChI=1S/C23H19N3O4S.BrH/c1-30-19-10-11-21-20(13-19)24-23(25(21)14-16-6-3-2-4-7-16)31-15-22(27)17-8-5-9-18(12-17)26(28)29;/h2-13H,14-15H2,1H3;1H