4-(2,2-dimethylpropyl)-2-methylsulfanyl-7-(trifluoromethyl)quinoline

Systemtic Name: 4-(2,2-dimethylpropyl)-2-methylsulfanyl-7-(trifluoromethyl)quinoline Openeye Name: 4-(2,2-dimethylpropyl)-2-methylsulfanyl-7-(trifluoromethyl)quinoline CAS Name: 4-(2,2-dimethylpropyl)-2-(methylthio)-7-(trifluoromethyl)quinoline IUPAC Name: 4-(2,2-dimethylpropyl)-2-methylsulfanyl-7-(trifluoromethyl)quinoline Traditional Name: 2-(methylthio)-4-neopentyl-7-(trifluoromethyl)quinoline Formula: C16H18F3NS MolecularWeight: 313.38103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC(=NC2=C1C=CC(=C2)C(F)(F)F)SC

Isomeric SMILES

CC(C)(C)CC1=CC(=NC2=C1C=CC(=C2)C(F)(F)F)SC

InChI

InChI=1S/C16H18F3NS/c1-15(2,3)9-10-7-14(21-4)20-13-8-11(16(17,18)19)5-6-12(10)13/h5-8H,9H2,1-4H3