5-octylsulfanyl-5-phenyl-2H-pyrimidine

Systemtic Name: 5-octylsulfanyl-5-phenyl-2H-pyrimidine Openeye Name: 5-octylsulfanyl-5-phenyl-2H-pyrimidine CAS Name: 5-(octylthio)-5-phenyl-2H-pyrimidine IUPAC Name: 5-octylsulfanyl-5-phenyl-2H-pyrimidine Traditional Name: 5-(octylthio)-5-phenyl-2H-pyrimidine Formula: C18H26N2S MolecularWeight: 302.47744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1(C=NCN=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCSC1(C=NCN=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H26N2S/c1-2-3-4-5-6-10-13-21-18(14-19-16-20-15-18)17-11-8-7-9-12-17/h7-9,11-12,14-15H,2-6,10,13,16H2,1H3