N-[2-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]-4-nitro-benzamide

Systemtic Name: N-[2-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]-4-nitro-benzamide Openeye Name: N-[2-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]-4-nitro-benzamide CAS Name: N-[2-methyl-2-[[3-(trifluoromethyl)phenyl]methylthio]propyl]-4-nitrobenzamide IUPAC Name: N-[2-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]propyl]-4-nitrobenzamide Traditional Name: N-[2-methyl-2-[[3-(trifluoromethyl)benzyl]thio]propyl]-4-nitro-benzamide Formula: C19H19F3N2O3S MolecularWeight: 412.42597

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])SCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)(CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])SCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C19H19F3N2O3S/c1-18(2,28-11-13-4-3-5-15(10-13)19(20,21)22)12-23-17(25)14-6-8-16(9-7-14)24(26)27/h3-10H,11-12H2,1-2H3,(H,23,25)