N-[(4-dimethylaminophenyl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-[4-(dimethylamino)benzyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C18H18F3N3O3S MolecularWeight: 413.41403

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O3S/c1-23(2)14-6-3-12(4-7-14)10-22-17(25)11-28-16-8-5-13(18(19,20)21)9-15(16)24(26)27/h3-9H,10-11H2,1-2H3,(H,22,25)