2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide

Systemtic Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenyl-propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NN=C(N2C)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H20N4O3S/c1-13(19(25)21-14-8-4-3-5-9-14)28-20-23-22-18(24(20)2)17-12-26-15-10-6-7-11-16(15)27-17/h3-11,13,17H,12H2,1-2H3,(H,21,25)