[4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]methyl 2-cyanoethanoate

Systemtic Name: [4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]methyl 2-cyanoethanoate Openeye Name: [4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]methyl 2-cyanoacetate CAS Name: 2-cyanoacetic acid [4,6-bis(octylthio)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4,6-bis(octylsulfanyl)-1,3,5-triazin-2-yl]methyl 2-cyanoacetate Traditional Name: 2-cyanoacetic acid [4,6-bis(octylthio)-s-triazin-2-yl]methyl ester Formula: C23H38N4O2S2 MolecularWeight: 466.70342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=NC(=N1)COC(=O)CC#N)SCCCCCCCC

Isomeric SMILES

CCCCCCCCSC1=NC(=NC(=N1)COC(=O)CC#N)SCCCCCCCC

InChI

InChI=1S/C23H38N4O2S2/c1-3-5-7-9-11-13-17-30-22-25-20(19-29-21(28)15-16-24)26-23(27-22)31-18-14-12-10-8-6-4-2/h3-15,17-19H2,1-2H3