2-decylsulfanyl-5-(4-nonoxyphenyl)pyrimidine

Systemtic Name: 2-decylsulfanyl-5-(4-nonoxyphenyl)pyrimidine Openeye Name: 2-decylsulfanyl-5-(4-nonoxyphenyl)pyrimidine CAS Name: 2-(decylthio)-5-(4-nonoxyphenyl)pyrimidine IUPAC Name: 2-decylsulfanyl-5-(4-nonoxyphenyl)pyrimidine Traditional Name: 2-(decylthio)-5-(4-nonoxyphenyl)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)OCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H46N2OS/c1-3-5-7-9-11-13-15-17-23-33-29-30-24-27(25-31-29)26-18-20-28(21-19-26)32-22-16-14-12-10-8-6-4-2/h18-21,24-25H,3-17,22-23H2,1-2H3