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

Systemtic Name: 5-decyl-2-(4-octan-2-ylsulfanylphenyl)pyrimidine Openeye Name: 5-decyl-2-[4-(1-methylheptylsulfanyl)phenyl]pyrimidine CAS Name: 5-decyl-2-[4-(octan-2-ylthio)phenyl]pyrimidine IUPAC Name: 5-decyl-2-(4-octan-2-ylsulfanylphenyl)pyrimidine Traditional Name: 5-decyl-2-[4-(1-methylheptylthio)phenyl]pyrimidine Formula: C28H44N2S MolecularWeight: 440.72736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(C)CCCCCC

InChI

InChI=1S/C28H44N2S/c1-4-6-8-10-11-12-13-15-17-25-22-29-28(30-23-25)26-18-20-27(21-19-26)31-24(3)16-14-9-7-5-2/h18-24H,4-17H2,1-3H3