4-pyridin-2-yl-1-(trioxidanylsulfanylmethyl)-1,2,4-triazolidine-3-thiol

Systemtic Name: 4-pyridin-2-yl-1-(trioxidanylsulfanylmethyl)-1,2,4-triazolidine-3-thiol Openeye Name: 4-(2-pyridyl)-1-(trioxidanylsulfanylmethyl)-1,2,4-triazolidine-3-thiol CAS Name: [3-mercapto-4-(2-pyridinyl)-1,2,4-triazolidin-1-yl]methanesulfenic acid hydroperoxy ester IUPAC Name: 4-pyridin-2-yl-1-(trioxidanylsulfanylmethyl)-1,2,4-triazolidine-3-thiol Traditional Name: 4-(2-pyridyl)-1-[(trioxidanylthio)methyl]-1,2,4-triazolidine-3-thiol Formula: C8H12N4O3S2 MolecularWeight: 276.33588

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Descriptors Computed from Structure

Canonical SMILES:

C1N(NC(N1C2=CC=CC=N2)S)CSOOO

Isomeric SMILES

C1N(NC(N1C2=CC=CC=N2)S)CSOOO

InChI

InChI=1S/C8H12N4O3S2/c13-14-15-17-6-11-5-12(8(16)10-11)7-3-1-2-4-9-7/h1-4,8,10,13,16H,5-6H2