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

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyridylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyridinylmethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylmethylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-pyridylmethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C21H14F3N3O2S MolecularWeight: 429.41497

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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)SCC4=CC=CC=N4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NC(=C(C(=C3)C(F)(F)F)C#N)SCC4=CC=CC=N4

InChI

InChI=1S/C21H14F3N3O2S/c22-21(23,24)16-10-17(13-4-5-18-19(9-13)29-8-7-28-18)27-20(15(16)11-25)30-12-14-3-1-2-6-26-14/h1-6,9-10H,7-8,12H2