1,4-dimethyl-2-nitro-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzene

Systemtic Name: 1,4-dimethyl-2-nitro-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzene Openeye Name: 1,4-dimethyl-2-nitro-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzene CAS Name: 1,4-dimethyl-2-nitro-5-[[3-(trifluoromethyl)phenyl]methylthio]benzene IUPAC Name: 1,4-dimethyl-2-nitro-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzene Traditional Name: 1,4-dimethyl-2-nitro-5-[[3-(trifluoromethyl)benzyl]thio]benzene Formula: C16H14F3NO2S MolecularWeight: 341.34807

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SCC2=CC(=CC=C2)C(F)(F)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1SCC2=CC(=CC=C2)C(F)(F)F)C)[N+](=O)[O-]

InChI

InChI=1S/C16H14F3NO2S/c1-10-7-15(11(2)6-14(10)20(21)22)23-9-12-4-3-5-13(8-12)16(17,18)19/h3-8H,9H2,1-2H3