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

Systemtic Name: N-[[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[[4-methyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[[4-methyl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[[4-methyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C18H19N5O4S2 MolecularWeight: 433.50456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O4S2/c1-23-17(21-22-18(23)28-12-13-3-2-6-19-10-13)11-20-29(24,25)14-4-5-15-16(9-14)27-8-7-26-15/h2-6,9-10,20H,7-8,11-12H2,1H3