3-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-methyl-3-piperonyl-1H-1,2,4-triazole-5-thione Formula: C11H11N3O2S MolecularWeight: 249.28894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN1C(=NNC1=S)CC2=CC3=C(C=C2)OCO3

InChI

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