2-[4-(2-methylbutylsulfanyl)phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[4-(2-methylbutylsulfanyl)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[4-(2-methylbutylsulfanyl)phenyl]-5-octyl-pyrimidine CAS Name: 2-[4-(2-methylbutylthio)phenyl]-5-octylpyrimidine IUPAC Name: 2-[4-(2-methylbutylsulfanyl)phenyl]-5-octylpyrimidine Traditional Name: 2-[4-(2-methylbutylthio)phenyl]-5-octyl-pyrimidine Formula: C23H34N2S MolecularWeight: 370.59446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)SCC(C)CC

InChI

InChI=1S/C23H34N2S/c1-4-6-7-8-9-10-11-20-16-24-23(25-17-20)21-12-14-22(15-13-21)26-18-19(3)5-2/h12-17,19H,4-11,18H2,1-3H3