2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C25H20N4O4S MolecularWeight: 472.5157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5)OCO2

InChI

InChI=1S/C25H20N4O4S/c1-16(30)19-12-21-22(33-15-32-21)13-20(19)26-23(31)14-34-25-28-27-24(17-8-4-2-5-9-17)29(25)18-10-6-3-7-11-18/h2-13H,14-15H2,1H3,(H,26,31)