4-(1,3-benzodioxol-5-ylmethylamino)-3-ethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-ethyl-4-(piperonylamino)-1H-1,2,4-triazole-5-thione Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=NNC(=S)N1NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H14N4O2S/c1-2-11-14-15-12(19)16(11)13-6-8-3-4-9-10(5-8)18-7-17-9/h3-5,13H,2,6-7H2,1H3,(H,15,19)