3-[4-methyl-5-(phenanthridin-6-ylmethylsulfanyl)-1,2,4-triazol-3-yl]thiolane 1,1-dioxide

Systemtic Name: 3-[4-methyl-5-(phenanthridin-6-ylmethylsulfanyl)-1,2,4-triazol-3-yl]thiolane 1,1-dioxide Openeye Name: 3-[4-methyl-5-(phenanthridin-6-ylmethylsulfanyl)-1,2,4-triazol-3-yl]thiolane 1,1-dioxide CAS Name: 3-[4-methyl-5-(6-phenanthridinylmethylthio)-1,2,4-triazol-3-yl]thiolane 1,1-dioxide IUPAC Name: 3-[4-methyl-5-(phenanthridin-6-ylmethylsulfanyl)-1,2,4-triazol-3-yl]thiolane 1,1-dioxide Traditional Name: 3-[4-methyl-5-(phenanthridin-6-ylmethylthio)-1,2,4-triazol-3-yl]sulfolane Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42)C5CCS(=O)(=O)C5

Isomeric SMILES

CN1C(=NN=C1SCC2=NC3=CC=CC=C3C4=CC=CC=C42)C5CCS(=O)(=O)C5

InChI

InChI=1S/C21H20N4O2S2/c1-25-20(14-10-11-29(26,27)13-14)23-24-21(25)28-12-19-17-8-3-2-6-15(17)16-7-4-5-9-18(16)22-19/h2-9,14H,10-13H2,1H3