N-(2-fluoranyl-5-nitro-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-fluoranyl-5-nitro-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-fluoro-5-nitro-phenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-fluoro-5-nitrophenyl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-fluoro-5-nitrophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(2-fluoro-5-nitro-phenyl)-2-[(1-phenylbenzimidazol-2-yl)thio]acetamide Formula: C21H15FN4O3S MolecularWeight: 422.432203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C21H15FN4O3S/c22-16-11-10-15(26(28)29)12-18(16)23-20(27)13-30-21-24-17-8-4-5-9-19(17)25(21)14-6-2-1-3-7-14/h1-12H,13H2,(H,23,27)