3-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]thiolane 1,1-dioxide

Systemtic Name: 3-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]thiolane 1,1-dioxide Openeye Name: 3-[4-methyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]thiolane 1,1-dioxide CAS Name: 3-[4-methyl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]thiolane 1,1-dioxide IUPAC Name: 3-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]thiolane 1,1-dioxide Traditional Name: 3-[4-methyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]sulfolane Formula: C13H16N4O2S2 MolecularWeight: 324.42174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CN=CC=C2)C3CCS(=O)(=O)C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CN=CC=C2)C3CCS(=O)(=O)C3

InChI

InChI=1S/C13H16N4O2S2/c1-17-12(11-4-6-21(18,19)9-11)15-16-13(17)20-8-10-3-2-5-14-7-10/h2-3,5,7,11H,4,6,8-9H2,1H3