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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(2-thienylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-piperonyl-3-(2-thenyl)-1H-1,2,4-triazole-5-thione Formula: C15H13N3O2S2 MolecularWeight: 331.41262

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)CC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)CC4=CC=CS4

InChI

InChI=1S/C15H13N3O2S2/c21-15-17-16-14(7-11-2-1-5-22-11)18(15)8-10-3-4-12-13(6-10)20-9-19-12/h1-6H,7-9H2,(H,17,21)