2-decylsulfanyl-5-(4-octoxyphenyl)pyrimidine

Systemtic Name: 2-decylsulfanyl-5-(4-octoxyphenyl)pyrimidine Openeye Name: 2-decylsulfanyl-5-(4-octoxyphenyl)pyrimidine CAS Name: 2-(decylthio)-5-(4-octoxyphenyl)pyrimidine IUPAC Name: 2-decylsulfanyl-5-(4-octoxyphenyl)pyrimidine Traditional Name: 2-(decylthio)-5-(4-octoxyphenyl)pyrimidine Formula: C28H44N2OS MolecularWeight: 456.72676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCCCC

InChI

InChI=1S/C28H44N2OS/c1-3-5-7-9-11-12-14-16-22-32-28-29-23-26(24-30-28)25-17-19-27(20-18-25)31-21-15-13-10-8-6-4-2/h17-20,23-24H,3-16,21-22H2,1-2H3