6-(1-adamantyl)-4-[bis(fluoranyl)methyl]-3-cyano-pyridine-2-thiolate

Systemtic Name: 6-(1-adamantyl)-4-[bis(fluoranyl)methyl]-3-cyano-pyridine-2-thiolate Openeye Name: 6-(1-adamantyl)-3-cyano-4-(difluoromethyl)pyridine-2-thiolate CAS Name: 6-(1-adamantyl)-3-cyano-4-(difluoromethyl)-2-pyridinethiolate IUPAC Name: 6-(1-adamantyl)-3-cyano-4-(difluoromethyl)pyridine-2-thiolate Traditional Name: 6-(1-adamantyl)-3-cyano-4-(difluoromethyl)pyridine-2-thiolate Formula: C17H17F2N2S- MolecularWeight: 319.392086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C(=C4)C(F)F)C#N)[S-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC(=C(C(=C4)C(F)F)C#N)[S-]

InChI

InChI=1S/C17H18F2N2S/c18-15(19)12-4-14(21-16(22)13(12)8-20)17-5-9-1-10(6-17)3-11(2-9)7-17/h4,9-11,15H,1-3,5-7H2,(H,21,22)/p-1