1,2-bis(3-diethoxyphosphorylsulfanyl-1H-1,2,4-triazol-5-yl)ethane-1,2-diol

Systemtic Name: 1,2-bis(3-diethoxyphosphorylsulfanyl-1H-1,2,4-triazol-5-yl)ethane-1,2-diol Openeye Name: 1,2-bis(3-diethoxyphosphorylsulfanyl-1H-1,2,4-triazol-5-yl)ethane-1,2-diol CAS Name: 1,2-bis[3-(diethoxyphosphorylthio)-1H-1,2,4-triazol-5-yl]ethane-1,2-diol IUPAC Name: 1,2-bis(3-diethoxyphosphorylsulfanyl-1H-1,2,4-triazol-5-yl)ethane-1,2-diol Traditional Name: 1,2-bis[3-(diethoxyphosphorylthio)-1H-1,2,4-triazol-5-yl]ethane-1,2-diol Formula: C14H26N6O8P2S2 MolecularWeight: 532.469162

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)SC1=NNC(=N1)C(C(C2=NC(=NN2)SP(=O)(OCC)OCC)O)O

Isomeric SMILES

CCOP(=O)(OCC)SC1=NNC(=N1)C(C(C2=NC(=NN2)SP(=O)(OCC)OCC)O)O

InChI

InChI=1S/C14H26N6O8P2S2/c1-5-25-29(23,26-6-2)31-13-15-11(17-19-13)9(21)10(22)12-16-14(20-18-12)32-30(24,27-7-3)28-8-4/h9-10,21-22H,5-8H2,1-4H3,(H,15,17,19)(H,16,18,20)