5-nitro-2-phenylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

Systemtic Name: 5-nitro-2-phenylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Openeye Name: 5-nitro-2-phenylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide CAS Name: 5-nitro-2-(phenylthio)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide IUPAC Name: 5-nitro-2-phenylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Traditional Name: 5-nitro-2-(phenylthio)-N-[3-(trifluoromethyl)benzyl]benzamide Formula: C21H15F3N2O3S MolecularWeight: 432.41561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H15F3N2O3S/c22-21(23,24)15-6-4-5-14(11-15)13-25-20(27)18-12-16(26(28)29)9-10-19(18)30-17-7-2-1-3-8-17/h1-12H,13H2,(H,25,27)