4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1H-1,2,4-triazole-5-thione Formula: C11H11N3O2S MolecularWeight: 249.28894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=S)N1C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=NNC(=S)N1C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C11H11N3O2S/c1-7-12-13-11(17)14(7)8-2-3-9-10(6-8)16-5-4-15-9/h2-3,6H,4-5H2,1H3,(H,13,17)