6-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-methyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-(trifluoromethyl)nicotinonitrile Formula: C17H12F3N3O4S MolecularWeight: 411.35509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H12F3N3O4S/c1-9-2-14(17(18,19)20)13(5-21)16(22-9)28-7-11-4-12(23(24)25)3-10-6-26-8-27-15(10)11/h2-4H,6-8H2,1H3