N-[4-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]methanesulfonamide CAS Name: N-[4-[5-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[5-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Formula: C20H20N4O5S2 MolecularWeight: 460.5266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C20H20N4O5S2/c1-24-19(13-3-6-15(7-4-13)23-31(2,26)27)21-22-20(24)30-12-16(25)14-5-8-17-18(11-14)29-10-9-28-17/h3-8,11,23H,9-10,12H2,1-2H3