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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfanyl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylthio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C22H15F3N2O2S MolecularWeight: 428.42691

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)C#N

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C(F)(F)F)C#N

InChI

InChI=1S/C22H15F3N2O2S/c23-22(24,25)17-10-18(14-6-2-1-3-7-14)27-21(16(17)11-26)30-13-15-12-28-19-8-4-5-9-20(19)29-15/h1-10,15H,12-13H2