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

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-(2-oxidanylidenepropylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-6-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(1,3-benzodioxol-5-yl)-2-(2-oxopropylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-(2-oxopropylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(acetonylthio)-6-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)nicotinonitrile Formula: C17H11F3N2O3S MolecularWeight: 380.34105

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N

Isomeric SMILES

CC(=O)CSC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCO3)C(F)(F)F)C#N

InChI

InChI=1S/C17H11F3N2O3S/c1-9(23)7-26-16-11(6-21)12(17(18,19)20)5-13(22-16)10-2-3-14-15(4-10)25-8-24-14/h2-5H,7-8H2,1H3