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

Systemtic Name: 1-[[5-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[(3-chlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[(3-chlorobenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C18H23ClN4OS MolecularWeight: 378.91942

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC=C2)Cl)CN3CCCCCC3=O

InChI

InChI=1S/C18H23ClN4OS/c1-2-23-16(12-22-10-5-3-4-9-17(22)24)20-21-18(23)25-13-14-7-6-8-15(19)11-14/h6-8,11H,2-5,9-10,12-13H2,1H3