N-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)CNS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H20N4O4S2/c1-23-18(21-22-19(23)28-13-14-5-3-2-4-6-14)12-20-29(24,25)15-7-8-16-17(11-15)27-10-9-26-16/h2-8,11,20H,9-10,12-13H2,1H3