2-[(4-cyclopropyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-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)-N-ethyl-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)-N-ethyl-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)-N-ethylacetamide IUPAC Name: 2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylacetamide Traditional Name: 2-[(4-cyclopropyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-acetamide Formula: C18H22N4O4S MolecularWeight: 390.45668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C(=O)CSC3=NNC(=O)N3C4CC4

Isomeric SMILES

CCN(CC1COC2=CC=CC=C2O1)C(=O)CSC3=NNC(=O)N3C4CC4

InChI

InChI=1S/C18H22N4O4S/c1-2-21(9-13-10-25-14-5-3-4-6-15(14)26-13)16(23)11-27-18-20-19-17(24)22(18)12-7-8-12/h3-6,12-13H,2,7-11H2,1H3,(H,19,24)