3-(1,3-benzodioxol-5-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-isobutyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(1,3-benzodioxol-5-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-isobutyl-1H-1,2,4-triazole-5-thione Formula: C13H15N3O2S MolecularWeight: 277.3421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NNC1=S)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CN1C(=NNC1=S)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H15N3O2S/c1-8(2)6-16-12(14-15-13(16)19)9-3-4-10-11(5-9)18-7-17-10/h3-5,8H,6-7H2,1-2H3,(H,15,19)