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

Systemtic Name: 5-(4-octoxyphenyl)-2-octylsulfanyl-pyrimidine Openeye Name: 5-(4-octoxyphenyl)-2-octylsulfanyl-pyrimidine CAS Name: 5-(4-octoxyphenyl)-2-(octylthio)pyrimidine IUPAC Name: 5-(4-octoxyphenyl)-2-octylsulfanylpyrimidine Traditional Name: 5-(4-octoxyphenyl)-2-(octylthio)pyrimidine Formula: C26H40N2OS MolecularWeight: 428.6736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCCCCC

InChI

InChI=1S/C26H40N2OS/c1-3-5-7-9-11-13-19-29-25-17-15-23(16-18-25)24-21-27-26(28-22-24)30-20-14-12-10-8-6-4-2/h15-18,21-22H,3-14,19-20H2,1-2H3