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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-(5-bromanylpyridin-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-(5-bromo-3-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(1,3-benzodioxol-5-yl)-3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-(5-bromopyridin-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-(5-bromo-3-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C14H9BrN4O2S MolecularWeight: 377.21586

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=CC(=CN=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=CC(=CN=C4)Br

InChI

InChI=1S/C14H9BrN4O2S/c15-9-3-8(5-16-6-9)13-17-18-14(22)19(13)10-1-2-11-12(4-10)21-7-20-11/h1-6H,7H2,(H,18,22)