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

Systemtic Name: 5-nonyl-2-(4-octan-2-ylsulfanylphenyl)pyrimidine Openeye Name: 2-[4-(1-methylheptylsulfanyl)phenyl]-5-nonyl-pyrimidine CAS Name: 5-nonyl-2-[4-(octan-2-ylthio)phenyl]pyrimidine IUPAC Name: 5-nonyl-2-(4-octan-2-ylsulfanylphenyl)pyrimidine Traditional Name: 2-[4-(1-methylheptylthio)phenyl]-5-nonyl-pyrimidine Formula: C27H42N2S MolecularWeight: 426.70078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SC(C)CCCCCC

InChI

InChI=1S/C27H42N2S/c1-4-6-8-10-11-12-14-16-24-21-28-27(29-22-24)25-17-19-26(20-18-25)30-23(3)15-13-9-7-5-2/h17-23H,4-16H2,1-3H3