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

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(5-bromo-2-pyridyl)-2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(5-bromo-2-pyridyl)-2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H18BrN5O2S MolecularWeight: 448.33682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C)SCC(=O)NC2=NC=C(C=C2)Br)OC3=CC=CC=C3

Isomeric SMILES

CC(C1=NN=C(N1C)SCC(=O)NC2=NC=C(C=C2)Br)OC3=CC=CC=C3

InChI

InChI=1S/C18H18BrN5O2S/c1-12(26-14-6-4-3-5-7-14)17-22-23-18(24(17)2)27-11-16(25)21-15-9-8-13(19)10-20-15/h3-10,12H,11H2,1-2H3,(H,20,21,25)