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

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C23H17F3N2O2S MolecularWeight: 442.45349

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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)SCCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NC(=C(C(=C3)C(F)(F)F)C#N)SCCC4=CC=CC=C4

InChI

InChI=1S/C23H17F3N2O2S/c24-23(25,26)18-13-19(16-6-7-20-21(12-16)30-10-9-29-20)28-22(17(18)14-27)31-11-8-15-4-2-1-3-5-15/h1-7,12-13H,8-11H2