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

Systemtic Name: 1-[[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[(2-chlorophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[(2-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=C2Cl)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2Cl)CN3CCCCCC3=O

InChI

InChI=1S/C18H23ClN4OS/c1-2-23-16(12-22-11-7-3-4-10-17(22)24)20-21-18(23)25-13-14-8-5-6-9-15(14)19/h5-6,8-9H,2-4,7,10-13H2,1H3