1-(4-methylphenyl)sulfanyl-2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene

Systemtic Name: 1-(4-methylphenyl)sulfanyl-2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene Openeye Name: 2-nitro-1-(p-tolylsulfanyl)-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene CAS Name: 1-[(4-methylphenyl)thio]-2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene IUPAC Name: 1-(4-methylphenyl)sulfanyl-2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene Traditional Name: 2-nitro-1-(p-tolylthio)-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene Formula: C21H16F3NO3S MolecularWeight: 419.41685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)COC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)COC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H16F3NO3S/c1-14-5-8-18(9-6-14)29-20-10-7-15(11-19(20)25(26)27)13-28-17-4-2-3-16(12-17)21(22,23)24/h2-12H,13H2,1H3