2-nonylsulfanyl-5-(4-octoxyphenyl)pyrimidine

Systemtic Name: 2-nonylsulfanyl-5-(4-octoxyphenyl)pyrimidine Openeye Name: 2-nonylsulfanyl-5-(4-octoxyphenyl)pyrimidine CAS Name: 2-(nonylthio)-5-(4-octoxyphenyl)pyrimidine IUPAC Name: 2-nonylsulfanyl-5-(4-octoxyphenyl)pyrimidine Traditional Name: 2-(nonylthio)-5-(4-octoxyphenyl)pyrimidine Formula: C27H42N2OS MolecularWeight: 442.70018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OCCCCCCCC

InChI

InChI=1S/C27H42N2OS/c1-3-5-7-9-11-13-15-21-31-27-28-22-25(23-29-27)24-16-18-26(19-17-24)30-20-14-12-10-8-6-4-2/h16-19,22-23H,3-15,20-21H2,1-2H3