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

Systemtic Name: [4,6-bis(dodecylsulfanyl)-1,3,5-triazin-2-yl]methyl 2-cyanoethanoate Openeye Name: [4,6-bis(dodecylsulfanyl)-1,3,5-triazin-2-yl]methyl 2-cyanoacetate CAS Name: 2-cyanoacetic acid [4,6-bis(dodecylthio)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4,6-bis(dodecylsulfanyl)-1,3,5-triazin-2-yl]methyl 2-cyanoacetate Traditional Name: 2-cyanoacetic acid [4,6-bis(laurylthio)-s-triazin-2-yl]methyl ester Formula: C31H54N4O2S2 MolecularWeight: 578.91606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC(=NC(=N1)COC(=O)CC#N)SCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCSC1=NC(=NC(=N1)COC(=O)CC#N)SCCCCCCCCCCCC

InChI

InChI=1S/C31H54N4O2S2/c1-3-5-7-9-11-13-15-17-19-21-25-38-30-33-28(27-37-29(36)23-24-32)34-31(35-30)39-26-22-20-18-16-14-12-10-8-6-4-2/h3-23,25-27H2,1-2H3