N-[(1-methylbenzimidazol-2-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-[(1-methylbenzimidazol-2-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-[(1-methylbenzimidazol-2-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-[(1-methyl-2-benzimidazolyl)methyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-[(1-methylbenzimidazol-2-yl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-[(1-methylbenzimidazol-2-yl)methyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C18H15F3N4O3S MolecularWeight: 424.39691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CNC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CNC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N4O3S/c1-24-13-5-3-2-4-12(13)23-16(24)9-22-17(26)10-29-15-7-6-11(18(19,20)21)8-14(15)25(27)28/h2-8H,9-10H2,1H3,(H,22,26)