2-decylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine

Systemtic Name: 2-decylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine Openeye Name: 2-decylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine CAS Name: 2-(decylthio)-5-[4-(6-methyloctoxy)phenyl]pyrimidine IUPAC Name: 2-decylsulfanyl-5-[4-(6-methyloctoxy)phenyl]pyrimidine Traditional Name: 2-(decylthio)-5-[4-(6-methyloctoxy)phenyl]pyrimidine Formula: C29H46N2OS MolecularWeight: 470.75334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCC(C)CC

InChI

InChI=1S/C29H46N2OS/c1-4-6-7-8-9-10-11-15-22-33-29-30-23-27(24-31-29)26-17-19-28(20-18-26)32-21-14-12-13-16-25(3)5-2/h17-20,23-25H,4-16,21-22H2,1-3H3