1-(4-nitrophenyl)-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-nitrophenyl)-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone CAS Name: 1-(4-nitrophenyl)-2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 2-(1-benzylbenzimidazol-2-yl)sulfanyl-1-(4-nitrophenyl)ethanone Traditional Name: 2-[(1-benzylbenzimidazol-2-yl)thio]-1-(4-nitrophenyl)ethanone Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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