2-[[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide

Systemtic Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-ethanamide Openeye Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide IUPAC Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-methylamino]-N-propylacetamide Traditional Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-amino]-N-propyl-acetamide Formula: C18H25N5O3S MolecularWeight: 391.4878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2COC3=CC=CC=C3O2)C

Isomeric SMILES

CCCNC(=O)CN(C)CN1C(=S)N(C(=N1)C2COC3=CC=CC=C3O2)C

InChI

InChI=1S/C18H25N5O3S/c1-4-9-19-16(24)10-21(2)12-23-18(27)22(3)17(20-23)15-11-25-13-7-5-6-8-14(13)26-15/h5-8,15H,4,9-12H2,1-3H3,(H,19,24)