5-heptyl-2-(4-octylsulfanylphenyl)pyrimidine

Systemtic Name: 5-heptyl-2-(4-octylsulfanylphenyl)pyrimidine Openeye Name: 5-heptyl-2-(4-octylsulfanylphenyl)pyrimidine CAS Name: 5-heptyl-2-[4-(octylthio)phenyl]pyrimidine IUPAC Name: 5-heptyl-2-(4-octylsulfanylphenyl)pyrimidine Traditional Name: 5-heptyl-2-[4-(octylthio)phenyl]pyrimidine Formula: C25H38N2S MolecularWeight: 398.64762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCC

Isomeric SMILES

CCCCCCCCSC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCC

InChI

InChI=1S/C25H38N2S/c1-3-5-7-9-11-13-19-28-24-17-15-23(16-18-24)25-26-20-22(21-27-25)14-12-10-8-6-4-2/h15-18,20-21H,3-14,19H2,1-2H3