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

Systemtic Name: 3-(5-bromanylpyridin-3-yl)-4-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(5-bromo-3-pyridyl)-4-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(5-bromo-3-pyridinyl)-4-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(5-bromopyridin-3-yl)-4-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(5-bromo-3-pyridyl)-4-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C15H13BrN4O2S MolecularWeight: 393.25832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC(=CN=C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=NNC2=S)C3=CC(=CN=C3)Br

InChI

InChI=1S/C15H13BrN4O2S/c1-21-11-3-4-13(22-2)12(6-11)20-14(18-19-15(20)23)9-5-10(16)8-17-7-9/h3-8H,1-2H3,(H,19,23)