(E)-N-[4,6-bis(ethylsulfanyl)-2-methyl-pyrimidin-5-yl]octadec-9-enamide

Systemtic Name: (E)-N-[4,6-bis(ethylsulfanyl)-2-methyl-pyrimidin-5-yl]octadec-9-enamide Openeye Name: (E)-N-[4,6-bis(ethylsulfanyl)-2-methyl-pyrimidin-5-yl]octadec-9-enamide CAS Name: (E)-N-[4,6-bis(ethylthio)-2-methyl-5-pyrimidinyl]-9-octadecenamide IUPAC Name: (E)-N-[4,6-bis(ethylsulfanyl)-2-methylpyrimidin-5-yl]octadec-9-enamide Traditional Name: (E)-N-[4,6-bis(ethylthio)-2-methyl-pyrimidin-5-yl]octadec-9-enamide Formula: C27H47N3OS2 MolecularWeight: 493.81158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=C(N=C(N=C1SCC)C)SCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=C(N=C(N=C1SCC)C)SCC

InChI

InChI=1S/C27H47N3OS2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(31)30-25-26(32-6-2)28-23(4)29-27(25)33-7-3/h14-15H,5-13,16-22H2,1-4H3,(H,30,31)/b15-14+