N-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]ethanamide

Systemtic Name: N-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]ethanamide Openeye Name: N-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]acetamide CAS Name: N-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]acetamide IUPAC Name: N-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]acetamide Traditional Name: N-[2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]acetamide Formula: C12H13BrN4OS MolecularWeight: 341.22682

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=NNC(=N1)C2=CC=CC=C2Br

Isomeric SMILES

CC(=O)NCCSC1=NNC(=N1)C2=CC=CC=C2Br

InChI

InChI=1S/C12H13BrN4OS/c1-8(18)14-6-7-19-12-15-11(16-17-12)9-4-2-3-5-10(9)13/h2-5H,6-7H2,1H3,(H,14,18)(H,15,16,17)