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

Systemtic Name: 1-(4-chlorophenyl)sulfanyl-2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene Openeye Name: 1-(4-chlorophenyl)sulfanyl-2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene CAS Name: 1-[(4-chlorophenyl)thio]-2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene IUPAC Name: 1-(4-chlorophenyl)sulfanyl-2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene Traditional Name: 1-[(4-chlorophenyl)thio]-2-nitro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene Formula: C20H13ClF3NO3S MolecularWeight: 439.83533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H13ClF3NO3S/c21-15-5-7-17(8-6-15)29-19-9-4-13(10-18(19)25(26)27)12-28-16-3-1-2-14(11-16)20(22,23)24/h1-11H,12H2