[3,5-bis(2-pyrazol-1-ylcarbothioylsulfanylpropanoyloxy)phenyl] 2-pyrazol-1-ylcarbothioylsulfanylpropanoate

Systemtic Name: [3,5-bis(2-pyrazol-1-ylcarbothioylsulfanylpropanoyloxy)phenyl] 2-pyrazol-1-ylcarbothioylsulfanylpropanoate Openeye Name: [3,5-bis[2-(pyrazole-1-carbothioylsulfanyl)propanoyloxy]phenyl] 2-(pyrazole-1-carbothioylsulfanyl)propanoate CAS Name: 2-[[1-pyrazolyl(sulfanylidene)methyl]thio]propanoic acid [3,5-bis[1-oxo-2-[[1-pyrazolyl(sulfanylidene)methyl]thio]propoxy]phenyl] ester IUPAC Name: [3,5-bis[2-(pyrazole-1-carbothioylsulfanyl)propanoyloxy]phenyl] 2-(pyrazole-1-carbothioylsulfanyl)propanoate Traditional Name: 2-(pyrazole-1-carbothioylthio)propionic acid [3,5-bis[2-(pyrazole-1-carbothioylthio)propanoyloxy]phenyl] ester Formula: C27H24N6O6S6 MolecularWeight: 720.90606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=CC(=CC(=C1)OC(=O)C(C)SC(=S)N2C=CC=N2)OC(=O)C(C)SC(=S)N3C=CC=N3)SC(=S)N4C=CC=N4

Isomeric SMILES

CC(C(=O)OC1=CC(=CC(=C1)OC(=O)C(C)SC(=S)N2C=CC=N2)OC(=O)C(C)SC(=S)N3C=CC=N3)SC(=S)N4C=CC=N4

InChI

InChI=1S/C27H24N6O6S6/c1-16(43-25(40)31-10-4-7-28-31)22(34)37-19-13-20(38-23(35)17(2)44-26(41)32-11-5-8-29-32)15-21(14-19)39-24(36)18(3)45-27(42)33-12-6-9-30-33/h4-18H,1-3H3