2,4-dinitro-6-(phenylmethylsulfanyl)-N-[4-(trifluoromethyloxy)phenyl]benzamide

Systemtic Name: 2,4-dinitro-6-(phenylmethylsulfanyl)-N-[4-(trifluoromethyloxy)phenyl]benzamide Openeye Name: 2-benzylsulfanyl-4,6-dinitro-N-[4-(trifluoromethoxy)phenyl]benzamide CAS Name: 2,4-dinitro-6-(phenylmethylthio)-N-[4-(trifluoromethoxy)phenyl]benzamide IUPAC Name: 2-benzylsulfanyl-4,6-dinitro-N-[4-(trifluoromethoxy)phenyl]benzamide Traditional Name: 2-(benzylthio)-4,6-dinitro-N-[4-(trifluoromethoxy)phenyl]benzamide Formula: C21H14F3N3O6S MolecularWeight: 493.41257

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=CC(=C2C(=O)NC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=CC(=C2C(=O)NC3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14F3N3O6S/c22-21(23,24)33-16-8-6-14(7-9-16)25-20(28)19-17(27(31)32)10-15(26(29)30)11-18(19)34-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,25,28)