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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-methoxyphenyl)-4-(piperonylamino)-1H-1,2,4-triazole-5-thione Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NNC(=S)N2NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1C2=NNC(=S)N2NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H16N4O3S/c1-22-13-5-3-2-4-12(13)16-19-20-17(25)21(16)18-9-11-6-7-14-15(8-11)24-10-23-14/h2-8,18H,9-10H2,1H3,(H,20,25)