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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-(2-thienylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-(2-thenyl)-1H-1,2,4-triazole-5-thione Formula: C14H11N3O2S2 MolecularWeight: 317.38604

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CC4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CC4=CC=CS4

InChI

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