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

Systemtic Name: 1-[[4-ethyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Openeye Name: 1-[(4-ethyl-5-isobutylsulfanyl-1,2,4-triazol-3-yl)methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-(2-methylpropylthio)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[[4-ethyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-(isobutylthio)-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C15H26N4OS MolecularWeight: 310.45814

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(C)C)CN2CCCCCC2=O

Isomeric SMILES

CCN1C(=NN=C1SCC(C)C)CN2CCCCCC2=O

InChI

InChI=1S/C15H26N4OS/c1-4-19-13(16-17-15(19)21-11-12(2)3)10-18-9-7-5-6-8-14(18)20/h12H,4-11H2,1-3H3