3-nitro-4-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[[3-(trifluoromethyl)benzyl]amino]ethyl]thio]-3-nitro-benzamide Formula: C17H14F3N3O4S MolecularWeight: 413.37097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F3N3O4S/c18-17(19,20)12-3-1-2-10(6-12)8-22-15(24)9-28-14-5-4-11(16(21)25)7-13(14)23(26)27/h1-7H,8-9H2,(H2,21,25)(H,22,24)