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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N)COC2=CC=C(C=C2)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N)COC2=CC=C(C=C2)Br

InChI

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