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

Systemtic Name: 3-(5-bromanylpyridin-3-yl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(5-bromo-3-pyridyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(5-bromo-3-pyridinyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(5-bromopyridin-3-yl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(5-bromo-3-pyridyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C14H11BrN4OS MolecularWeight: 363.23234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrN4OS/c1-20-12-4-2-11(3-5-12)19-13(17-18-14(19)21)9-6-10(15)8-16-7-9/h2-8H,1H3,(H,18,21)