N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-N-methyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-N-methyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-N-methyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]thio]-N-methylacetamide IUPAC Name: N-(2-cyanoethyl)-2-[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-N-methylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]thio]-N-methyl-acetamide Formula: C19H16FN5O3S MolecularWeight: 413.425443

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=C(N1C3=CC=C(C=C3)F)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=C(N1C3=CC=C(C=C3)F)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H16FN5O3S/c1-23(10-2-9-21)18(26)12-29-19-22-16-11-15(25(27)28)7-8-17(16)24(19)14-5-3-13(20)4-6-14/h3-8,11H,2,10,12H2,1H3