2-methyl-8-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-quinoline

Systemtic Name: 2-methyl-8-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-quinoline Openeye Name: 2-methyl-8-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-quinoline CAS Name: 2-methyl-8-[[2-nitro-4-(trifluoromethyl)phenyl]thio]quinoline IUPAC Name: 2-methyl-8-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylquinoline Traditional Name: 2-methyl-8-[[2-nitro-4-(trifluoromethyl)phenyl]thio]quinoline Formula: C17H11F3N2O2S MolecularWeight: 364.34165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C=C1

InChI

InChI=1S/C17H11F3N2O2S/c1-10-5-6-11-3-2-4-15(16(11)21-10)25-14-8-7-12(17(18,19)20)9-13(14)22(23)24/h2-9H,1H3