6-(1-adamantyl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(1-adamantyl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(1-adamantyl)-2-allylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(1-adamantyl)-2-(prop-2-enylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(1-adamantyl)-2-prop-2-enylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(1-adamantyl)-2-(allylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C20H21F3N2S MolecularWeight: 378.45435

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C(=CC(=N1)C23CC4CC(C2)CC(C4)C3)C(F)(F)F)C#N

Isomeric SMILES

C=CCSC1=C(C(=CC(=N1)C23CC4CC(C2)CC(C4)C3)C(F)(F)F)C#N

InChI

InChI=1S/C20H21F3N2S/c1-2-3-26-18-15(11-24)16(20(21,22)23)7-17(25-18)19-8-12-4-13(9-19)6-14(5-12)10-19/h2,7,12-14H,1,3-6,8-10H2