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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-propyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-propyl-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-propyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-propyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-(piperonylamino)-3-propyl-1H-1,2,4-triazole-5-thione Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCC1=NNC(=S)N1NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H16N4O2S/c1-2-3-12-15-16-13(20)17(12)14-7-9-4-5-10-11(6-9)19-8-18-10/h4-6,14H,2-3,7-8H2,1H3,(H,16,20)