2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)ethanamide Openeye Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide CAS Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide Traditional Name: 2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide Formula: C16H18N4O4S MolecularWeight: 362.40352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C16H18N4O4S/c21-14(9-25-16-19-18-15(22)20(16)10-5-6-10)17-7-11-8-23-12-3-1-2-4-13(12)24-11/h1-4,10-11H,5-9H2,(H,17,21)(H,18,22)