4-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-piperonyl-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C14H10N3O2S2- MolecularWeight: 316.3781

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3[S-])C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=NN=C3[S-])C4=CC=CS4

InChI

InChI=1S/C14H11N3O2S2/c20-14-16-15-13(12-2-1-5-21-12)17(14)7-9-3-4-10-11(6-9)19-8-18-10/h1-6H,7-8H2,(H,16,20)/p-1