1-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one

Systemtic Name: 1-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[(4-bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[(4-bromobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C18H23BrN4OS MolecularWeight: 423.37042

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CN3CCCCCC3=O

InChI

InChI=1S/C18H23BrN4OS/c1-2-23-16(12-22-11-5-3-4-6-17(22)24)20-21-18(23)25-13-14-7-9-15(19)10-8-14/h7-10H,2-6,11-13H2,1H3