N-(5-bromanylpyridin-2-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-bromo-2-pyridyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-bromo-2-pyridyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H15BrN6OS MolecularWeight: 467.3417

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C20H15BrN6OS/c21-15-6-7-17(23-12-15)24-18(28)13-29-20-26-25-19(14-8-10-22-11-9-14)27(20)16-4-2-1-3-5-16/h1-12H,13H2,(H,23,24,28)