2-[[5-[1-(4-bromanylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[1-(4-bromanylphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[1-(4-bromophenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[1-(4-bromophenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[1-(4-bromophenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[1-(4-bromophenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H15BrN4O2S MolecularWeight: 371.2528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C)SCC(=O)N)OC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C1=NN=C(N1C)SCC(=O)N)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H15BrN4O2S/c1-8(20-10-5-3-9(14)4-6-10)12-16-17-13(18(12)2)21-7-11(15)19/h3-6,8H,7H2,1-2H3,(H2,15,19)