[4-(4-cyanophenyl)phenyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid [4-(4-cyanophenyl)phenyl] ester Formula: C22H13F3N2O4S MolecularWeight: 458.40983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=CC=C(C=C2)OC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H13F3N2O4S/c23-22(24,25)17-7-10-20(19(11-17)27(29)30)32-13-21(28)31-18-8-5-16(6-9-18)15-3-1-14(12-26)2-4-15/h1-11H,13H2