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

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-bromo-2-pyridyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-bromo-2-pyridyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C19H20BrN5OS MolecularWeight: 446.364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Br)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=NC=C(C=C2)Br)CCC3=CC=CC=C3

InChI

InChI=1S/C19H20BrN5OS/c1-2-25-17(11-8-14-6-4-3-5-7-14)23-24-19(25)27-13-18(26)22-16-10-9-15(20)12-21-16/h3-7,9-10,12H,2,8,11,13H2,1H3,(H,21,22,26)