2-methylsulfanyl-5-octyl-4-(trifluoromethyl)pyrimidine

Systemtic Name: 2-methylsulfanyl-5-octyl-4-(trifluoromethyl)pyrimidine Openeye Name: 2-methylsulfanyl-5-octyl-4-(trifluoromethyl)pyrimidine CAS Name: 2-(methylthio)-5-octyl-4-(trifluoromethyl)pyrimidine IUPAC Name: 2-methylsulfanyl-5-octyl-4-(trifluoromethyl)pyrimidine Traditional Name: 2-(methylthio)-5-octyl-4-(trifluoromethyl)pyrimidine Formula: C14H21F3N2S MolecularWeight: 306.39015

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1C(F)(F)F)SC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1C(F)(F)F)SC

InChI

InChI=1S/C14H21F3N2S/c1-3-4-5-6-7-8-9-11-10-18-13(20-2)19-12(11)14(15,16)17/h10H,3-9H2,1-2H3