6-(1-adamantyl)-4-[bis(fluoranyl)methyl]-2-sulfanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 6-(1-adamantyl)-4-[bis(fluoranyl)methyl]-2-sulfanylidene-1H-pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-4-(difluoromethyl)-2-thioxo-1H-pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile IUPAC Name: 6-(1-adamantyl)-4-(difluoromethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-4-(difluoromethyl)-2-thioxo-1H-pyridine-3-carbonitrile Formula: C17H18F2N2S MolecularWeight: 320.400026

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

Isomeric SMILES

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

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)