N-[2-(4-methyl-5-oxidanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[2-(4-methyl-5-oxidanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-[4-methyl-5-oxo-3-(2-thienyl)-1,2,4-triazol-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-[5-keto-4-methyl-3-(2-thienyl)-1,2,4-triazol-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C18H18N4O4S MolecularWeight: 386.42492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CCNC(=O)C2COC3=CC=CC=C3O2)C4=CC=CS4

Isomeric SMILES

CN1C(=NN(C1=O)CCNC(=O)C2COC3=CC=CC=C3O2)C4=CC=CS4

InChI

InChI=1S/C18H18N4O4S/c1-21-16(15-7-4-10-27-15)20-22(18(21)24)9-8-19-17(23)14-11-25-12-5-2-3-6-13(12)26-14/h2-7,10,14H,8-9,11H2,1H3,(H,19,23)