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

Systemtic Name: 5-dodecyl-2-(4-octan-2-ylsulfanylphenyl)pyrimidine Openeye Name: 5-dodecyl-2-[4-(1-methylheptylsulfanyl)phenyl]pyrimidine CAS Name: 5-dodecyl-2-[4-(octan-2-ylthio)phenyl]pyrimidine IUPAC Name: 5-dodecyl-2-(4-octan-2-ylsulfanylphenyl)pyrimidine Traditional Name: 5-lauryl-2-[4-(1-methylheptylthio)phenyl]pyrimidine Formula: C30H48N2S MolecularWeight: 468.78052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(C)CCCCCC

InChI

InChI=1S/C30H48N2S/c1-4-6-8-10-11-12-13-14-15-17-19-27-24-31-30(32-25-27)28-20-22-29(23-21-28)33-26(3)18-16-9-7-5-2/h20-26H,4-19H2,1-3H3