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

Systemtic Name: 1-[[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[4-ethyl-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-[(2-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-[(2-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2C)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2C)CN3CCCCCC3=O

InChI

InChI=1S/C19H26N4OS/c1-3-23-17(13-22-12-8-4-5-11-18(22)24)20-21-19(23)25-14-16-10-7-6-9-15(16)2/h6-7,9-10H,3-5,8,11-14H2,1-2H3