[3-(2-pyrazol-1-ylcarbothioylsulfanylpropanoyloxy)-2,2-bis(2-pyrazol-1-ylcarbothioylsulfanylpropanoyloxymethyl)propyl] 2-pyrazol-1-ylcarbothioylsulfanylpropanoate

Systemtic Name: [3-(2-pyrazol-1-ylcarbothioylsulfanylpropanoyloxy)-2,2-bis(2-pyrazol-1-ylcarbothioylsulfanylpropanoyloxymethyl)propyl] 2-pyrazol-1-ylcarbothioylsulfanylpropanoate Openeye Name: [3-[2-(pyrazole-1-carbothioylsulfanyl)propanoyloxy]-2,2-bis[2-(pyrazole-1-carbothioylsulfanyl)propanoyloxymethyl]propyl] 2-(pyrazole-1-carbothioylsulfanyl)propanoate CAS Name: 2-[[1-pyrazolyl(sulfanylidene)methyl]thio]propanoic acid [3-[1-oxo-2-[[1-pyrazolyl(sulfanylidene)methyl]thio]propoxy]-2,2-bis[[1-oxo-2-[[1-pyrazolyl(sulfanylidene)methyl]thio]propoxy]methyl]propyl] ester IUPAC Name: [3-[2-(pyrazole-1-carbothioylsulfanyl)propanoyloxy]-2,2-bis[2-(pyrazole-1-carbothioylsulfanyl)propanoyloxymethyl]propyl] 2-(pyrazole-1-carbothioylsulfanyl)propanoate Traditional Name: 2-(pyrazole-1-carbothioylthio)propionic acid [3-[2-(pyrazole-1-carbothioylthio)propanoyloxy]-2,2-bis[2-(pyrazole-1-carbothioylthio)propanoyloxymethyl]propyl] ester Formula: C33H36N8O8S8 MolecularWeight: 929.20774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(COC(=O)C(C)SC(=S)N1C=CC=N1)(COC(=O)C(C)SC(=S)N2C=CC=N2)COC(=O)C(C)SC(=S)N3C=CC=N3)SC(=S)N4C=CC=N4

Isomeric SMILES

CC(C(=O)OCC(COC(=O)C(C)SC(=S)N1C=CC=N1)(COC(=O)C(C)SC(=S)N2C=CC=N2)COC(=O)C(C)SC(=S)N3C=CC=N3)SC(=S)N4C=CC=N4

InChI

InChI=1S/C33H36N8O8S8/c1-21(54-29(50)38-13-5-9-34-38)25(42)46-17-33(18-47-26(43)22(2)55-30(51)39-14-6-10-35-39,19-48-27(44)23(3)56-31(52)40-15-7-11-36-40)20-49-28(45)24(4)57-32(53)41-16-8-12-37-41/h5-16,21-24H,17-20H2,1-4H3