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

Systemtic Name: 1-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-[(2,5-dimethylphenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-[(2,5-dimethylbenzyl)thio]-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4OS/c1-4-24-18(13-23-11-7-5-6-8-19(23)25)21-22-20(24)26-14-17-12-15(2)9-10-16(17)3/h9-10,12H,4-8,11,13-14H2,1-3H3