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

Systemtic Name: 1-[[5-(cyclohexylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[[5-(cyclohexylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one CAS Name: 1-[[5-(cyclohexylmethylthio)-4-ethyl-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[5-(cyclohexylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[5-(cyclohexylmethylthio)-4-ethyl-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C18H30N4OS MolecularWeight: 350.522

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2CCCCC2)CN3CCCCCC3=O

Isomeric SMILES

CCN1C(=NN=C1SCC2CCCCC2)CN3CCCCCC3=O

InChI

InChI=1S/C18H30N4OS/c1-2-22-16(13-21-12-8-4-7-11-17(21)23)19-20-18(22)24-14-15-9-5-3-6-10-15/h15H,2-14H2,1H3