6-(1,3-benzodioxol-5-yl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-allylsulfanyl-6-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(1,3-benzodioxol-5-yl)-2-(prop-2-enylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(allylthio)-6-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)nicotinonitrile Formula: C17H11F3N2O2S MolecularWeight: 364.34165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N

Isomeric SMILES

C=CCSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N

InChI

InChI=1S/C17H11F3N2O2S/c1-2-5-25-16-11(8-21)12(17(18,19)20)7-13(22-16)10-3-4-14-15(6-10)24-9-23-14/h2-4,6-7H,1,5,9H2