3-(5-bromanylpyridin-3-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(5-bromanylpyridin-3-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(5-bromo-3-pyridyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(5-bromo-3-pyridinyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(5-bromopyridin-3-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(5-bromo-3-pyridyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-thione Formula: C15H11BrN4O2S MolecularWeight: 391.24244

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=CC(=CN=C4)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=CC(=CN=C4)Br

InChI

InChI=1S/C15H11BrN4O2S/c16-10-5-9(7-17-8-10)14-18-19-15(23)20(14)11-1-2-12-13(6-11)22-4-3-21-12/h1-2,5-8H,3-4H2,(H,19,23)