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

Systemtic Name: 5-(4-nonoxyphenyl)-2-octylsulfanyl-pyrimidine Openeye Name: 5-(4-nonoxyphenyl)-2-octylsulfanyl-pyrimidine CAS Name: 5-(4-nonoxyphenyl)-2-(octylthio)pyrimidine IUPAC Name: 5-(4-nonoxyphenyl)-2-octylsulfanylpyrimidine Traditional Name: 5-(4-nonoxyphenyl)-2-(octylthio)pyrimidine Formula: C27H42N2OS MolecularWeight: 442.70018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCCCCC

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)SCCCCCCCC

InChI

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