2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone hydrobromide

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone hydrobromide Openeye Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone hydrobromide CAS Name: 2-[(1-methyl-2-benzimidazolyl)thio]-1-(4-nitrophenyl)ethanone hydrobromide IUPAC Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone hydrobromide Traditional Name: 2-[(1-methylbenzimidazol-2-yl)thio]-1-(4-nitrophenyl)ethanone hydrobromide Formula: C16H14BrN3O3S MolecularWeight: 408.26966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-].Br

InChI

InChI=1S/C16H13N3O3S.BrH/c1-18-14-5-3-2-4-13(14)17-16(18)23-10-15(20)11-6-8-12(9-7-11)19(21)22;/h2-9H,10H2,1H3;1H