5-[3-(5-bromanylpyridin-3-yl)-5-sulfanidyl-1,2,4-triazol-4-yl]-2-chloranyl-benzoate

Systemtic Name: 5-[3-(5-bromanylpyridin-3-yl)-5-sulfanidyl-1,2,4-triazol-4-yl]-2-chloranyl-benzoate Openeye Name: 5-[3-(5-bromo-3-pyridyl)-5-sulfido-1,2,4-triazol-4-yl]-2-chloro-benzoate CAS Name: 5-[3-(5-bromo-3-pyridinyl)-5-sulfido-1,2,4-triazol-4-yl]-2-chlorobenzoate IUPAC Name: 5-[3-(5-bromopyridin-3-yl)-5-sulfido-1,2,4-triazol-4-yl]-2-chlorobenzoate Traditional Name: 5-[3-(5-bromo-3-pyridyl)-5-sulfido-1,2,4-triazol-4-yl]-2-chloro-benzoate Formula: C14H6BrClN4O2S-2 MolecularWeight: 409.64504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=NN=C2[S-])C3=CC(=CN=C3)Br)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1N2C(=NN=C2[S-])C3=CC(=CN=C3)Br)C(=O)[O-])Cl

InChI

InChI=1S/C14H8BrClN4O2S/c15-8-3-7(5-17-6-8)12-18-19-14(23)20(12)9-1-2-11(16)10(4-9)13(21)22/h1-6H,(H,19,23)(H,21,22)/p-2