2-(4-octan-2-ylsulfanylphenyl)-5-octyl-pyrimidine

Systemtic Name: 2-(4-octan-2-ylsulfanylphenyl)-5-octyl-pyrimidine Openeye Name: 2-[4-(1-methylheptylsulfanyl)phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-(octan-2-ylthio)phenyl]-5-octylpyrimidine IUPAC Name: 2-(4-octan-2-ylsulfanylphenyl)-5-octylpyrimidine Traditional Name: 2-[4-(1-methylheptylthio)phenyl]-5-octyl-pyrimidine Formula: C26H40N2S MolecularWeight: 412.6742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(C)CCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(C)CCCCCC

InChI

InChI=1S/C26H40N2S/c1-4-6-8-10-11-13-15-23-20-27-26(28-21-23)24-16-18-25(19-17-24)29-22(3)14-12-9-7-5-2/h16-22H,4-15H2,1-3H3