N-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-2-phenylsulfanyl-acetamide CAS Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-2-(phenylthio)acetamide IUPAC Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-2-phenylsulfanylacetamide Traditional Name: N-[3-[2-nitro-4-(trifluoromethyl)anilino]propyl]-2-(phenylthio)acetamide Formula: C18H18F3N3O3S MolecularWeight: 413.41403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O3S/c19-18(20,21)13-7-8-15(16(11-13)24(26)27)22-9-4-10-23-17(25)12-28-14-5-2-1-3-6-14/h1-3,5-8,11,22H,4,9-10,12H2,(H,23,25)