2-[(1E)-buta-1,3-dienyl]-4-(phenylmethylsulfanyl)-6-(trifluoromethyl)pyridine

Systemtic Name: 2-[(1E)-buta-1,3-dienyl]-4-(phenylmethylsulfanyl)-6-(trifluoromethyl)pyridine Openeye Name: 4-benzylsulfanyl-2-[(1E)-buta-1,3-dienyl]-6-(trifluoromethyl)pyridine CAS Name: 2-[(1E)-buta-1,3-dienyl]-4-(phenylmethylthio)-6-(trifluoromethyl)pyridine IUPAC Name: 4-benzylsulfanyl-2-[(1E)-buta-1,3-dienyl]-6-(trifluoromethyl)pyridine Traditional Name: 4-(benzylthio)-2-[(1E)-buta-1,3-dienyl]-6-(trifluoromethyl)pyridine Formula: C17H14F3NS MolecularWeight: 321.35997

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Descriptors Computed from Structure

Canonical SMILES:

C=CC=CC1=NC(=CC(=C1)SCC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

C=C/C=C/C1=NC(=CC(=C1)SCC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C17H14F3NS/c1-2-3-9-14-10-15(11-16(21-14)17(18,19)20)22-12-13-7-5-4-6-8-13/h2-11H,1,12H2/b9-3+