[4-(2-nonylsulfanylpyrimidin-5-yl)phenyl] 2-chloranyl-3-methyl-pentanoate

Systemtic Name: [4-(2-nonylsulfanylpyrimidin-5-yl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(2-nonylsulfanylpyrimidin-5-yl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-[2-(nonylthio)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-(2-nonylsulfanylpyrimidin-5-yl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-[2-(nonylthio)pyrimidin-5-yl]phenyl] ester Formula: C25H35ClN2O2S MolecularWeight: 463.0756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCCCCCSC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

InChI

InChI=1S/C25H35ClN2O2S/c1-4-6-7-8-9-10-11-16-31-25-27-17-21(18-28-25)20-12-14-22(15-13-20)30-24(29)23(26)19(3)5-2/h12-15,17-19,23H,4-11,16H2,1-3H3