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

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-(cyanomethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-(cyanomethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(1,3-benzodioxol-5-yl)-2-(cyanomethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-(cyanomethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-(cyanomethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C16H8F3N3O2S MolecularWeight: 363.31383

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C(=C3)C(F)(F)F)C#N)SCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C(=C3)C(F)(F)F)C#N)SCC#N

InChI

InChI=1S/C16H8F3N3O2S/c17-16(18,19)11-6-12(22-15(10(11)7-21)25-4-3-20)9-1-2-13-14(5-9)24-8-23-13/h1-2,5-6H,4,8H2