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

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C12H13BrN4O2S MolecularWeight: 357.22622

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N)COC2=CC=C(C=C2)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H13BrN4O2S/c1-17-11(15-16-12(17)20-7-10(14)18)6-19-9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3,(H2,14,18)