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

Systemtic Name: 1-[(4-ethyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]azepan-2-one Openeye Name: 1-[(4-ethyl-5-isopropylsulfanyl-1,2,4-triazol-3-yl)methyl]azepan-2-one CAS Name: 1-[[4-ethyl-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-2-azepanone IUPAC Name: 1-[(4-ethyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]azepan-2-one Traditional Name: 1-[[4-ethyl-5-(isopropylthio)-1,2,4-triazol-3-yl]methyl]azepan-2-one Formula: C14H24N4OS MolecularWeight: 296.43156

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C)CN2CCCCCC2=O

Isomeric SMILES

CCN1C(=NN=C1SC(C)C)CN2CCCCCC2=O

InChI

InChI=1S/C14H24N4OS/c1-4-18-12(15-16-14(18)20-11(2)3)10-17-9-7-5-6-8-13(17)19/h11H,4-10H2,1-3H3