4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C14H10N3O2S2- MolecularWeight: 316.3781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3[S-])C4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3[S-])C4=CC=CS4

InChI

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