1-(3-nitrophenyl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanone

Systemtic Name: 1-(3-nitrophenyl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]ethanone Openeye Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-1-(3-nitrophenyl)ethanone CAS Name: 1-(3-nitrophenyl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]ethanone IUPAC Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-1-(3-nitrophenyl)ethanone Traditional Name: 2-[2-(benzylthio)benzimidazol-1-yl]-1-(3-nitrophenyl)ethanone Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O3S/c26-21(17-9-6-10-18(13-17)25(27)28)14-24-20-12-5-4-11-19(20)23-22(24)29-15-16-7-2-1-3-8-16/h1-13H,14-15H2