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

Systemtic Name: 1-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one Openeye Name: 1-[(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one CAS Name: 1-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-azepanone IUPAC Name: 1-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one Traditional Name: 1-[(4-ethyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]azepan-2-one Formula: C11H18N4OS MolecularWeight: 254.35182

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)CN2CCCCCC2=O

Isomeric SMILES

CCN1C(=NNC1=S)CN2CCCCCC2=O

InChI

InChI=1S/C11H18N4OS/c1-2-15-9(12-13-11(15)17)8-14-7-5-3-4-6-10(14)16/h2-8H2,1H3,(H,13,17)