6-(1-adamantyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

Systemtic Name: 6-(1-adamantyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-thioxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile IUPAC Name: 6-(1-adamantyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-thioxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile Formula: C17H17F3N2S MolecularWeight: 338.39049

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=S)N4)C#N)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=S)N4)C#N)C(F)(F)F

InChI

InChI=1S/C17H17F3N2S/c18-17(19,20)13-4-14(22-15(23)12(13)8-21)16-5-9-1-10(6-16)3-11(2-9)7-16/h4,9-11H,1-3,5-7H2,(H,22,23)