3-nitro-4-phenylsulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-nitro-4-phenylsulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-nitro-4-phenylsulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-nitro-4-(phenylthio)-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-nitro-4-phenylsulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-nitro-4-(phenylthio)-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C20H13F3N2O3S MolecularWeight: 418.38903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H13F3N2O3S/c21-20(22,23)14-5-4-6-15(12-14)24-19(26)13-9-10-18(17(11-13)25(27)28)29-16-7-2-1-3-8-16/h1-12H,(H,24,26)