[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methyl 3-(trifluoromethyl)benzoate

Systemtic Name: [4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methyl 3-(trifluoromethyl)benzoate Openeye Name: [3-nitro-4-(p-tolylsulfanyl)phenyl]methyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [4-[(4-methylphenyl)thio]-3-nitrophenyl]methyl ester IUPAC Name: [4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methyl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [3-nitro-4-(p-tolylthio)benzyl] ester Formula: C22H16F3NO4S MolecularWeight: 447.42695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)COC(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)COC(=O)C3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H16F3NO4S/c1-14-5-8-18(9-6-14)31-20-10-7-15(11-19(20)26(28)29)13-30-21(27)16-3-2-4-17(12-16)22(23,24)25/h2-12H,13H2,1H3