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

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide CAS Name: 4-[(4-methoxyphenyl)methylthio]-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-[(4-methoxyphenyl)methylsulfanyl]-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-nitro-4-(p-anisylthio)-N-[4-(trifluoromethyl)phenyl]benzamide Formula: C22H17F3N2O4S MolecularWeight: 462.44159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H17F3N2O4S/c1-31-18-9-2-14(3-10-18)13-32-20-11-4-15(12-19(20)27(29)30)21(28)26-17-7-5-16(6-8-17)22(23,24)25/h2-12H,13H2,1H3,(H,26,28)