2-(cyanomethylsulfanyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-(cyanomethylsulfanyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(cyanomethylsulfanyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-(cyanomethylthio)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(cyanomethylsulfanyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(cyanomethylthio)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(trifluoromethyl)nicotinonitrile Formula: C17H10F3N3O2S MolecularWeight: 377.34041

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NC(=C(C(=C3)C(F)(F)F)C#N)SCC#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NC(=C(C(=C3)C(F)(F)F)C#N)SCC#N

InChI

InChI=1S/C17H10F3N3O2S/c18-17(19,20)12-8-13(23-16(11(12)9-22)26-6-3-21)10-1-2-14-15(7-10)25-5-4-24-14/h1-2,7-8H,4-6H2