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

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(5-bromo-2-pyridyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(5-bromo-2-pyridyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H16BrN5OS MolecularWeight: 418.31084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=NC=C(C=C3)Br)C

InChI

InChI=1S/C17H16BrN5OS/c1-11-3-6-14(7-4-11)23-12(2)21-22-17(23)25-10-16(24)20-15-8-5-13(18)9-19-15/h3-9H,10H2,1-2H3,(H,19,20,24)