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

Systemtic Name: 1-[[5-[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[[1-(4-bromophenyl)-1-oxopropan-2-yl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[1-(4-bromophenyl)-1-oxopropan-2-yl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[[2-(4-bromophenyl)-2-keto-1-methyl-ethyl]thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C20H25BrN4O2S MolecularWeight: 465.4071

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)C2=CC=C(C=C2)Br)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)C2=CC=C(C=C2)Br)CN3CCCCCC3=O

InChI

InChI=1S/C20H25BrN4O2S/c1-3-25-17(13-24-12-6-4-5-7-18(24)26)22-23-20(25)28-14(2)19(27)15-8-10-16(21)11-9-15/h8-11,14H,3-7,12-13H2,1-2H3