2-(2-methylsulfanylbenzimidazol-1-yl)-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-(2-methylsulfanylbenzimidazol-1-yl)-1-(4-nitrophenyl)ethanone Openeye Name: 2-(2-methylsulfanylbenzimidazol-1-yl)-1-(4-nitrophenyl)ethanone CAS Name: 2-[2-(methylthio)-1-benzimidazolyl]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-(2-methylsulfanylbenzimidazol-1-yl)-1-(4-nitrophenyl)ethanone Traditional Name: 2-[2-(methylthio)benzimidazol-1-yl]-1-(4-nitrophenyl)ethanone Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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