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

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-bromo-2-pyridyl)-2-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[[4-ethyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-bromo-2-pyridyl)-2-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H15BrN6OS MolecularWeight: 419.2989

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Br)C3=CC=CC=N3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Br)C3=CC=CC=N3

InChI

InChI=1S/C16H15BrN6OS/c1-2-23-15(12-5-3-4-8-18-12)21-22-16(23)25-10-14(24)20-13-7-6-11(17)9-19-13/h3-9H,2,10H2,1H3,(H,19,20,24)