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

Systemtic Name: 2-(4-bromanylphenoxy)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)acetamide CAS Name: 2-(4-bromophenoxy)-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-(4-bromophenoxy)acetamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-2-(4-bromophenoxy)acetamide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)COC2=CC=C(C=C2)Br)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)COC2=CC=C(C=C2)Br)SCC3=CC=CC=C3

InChI

InChI=1S/C18H17BrN4O2S/c1-13-20-21-18(26-12-14-5-3-2-4-6-14)23(13)22-17(24)11-25-16-9-7-15(19)8-10-16/h2-10H,11-12H2,1H3,(H,22,24)