1-(azepan-1-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C13H22N4OS MolecularWeight: 282.40498

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)N2CCCCCC2

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)N2CCCCCC2

InChI

InChI=1S/C13H22N4OS/c1-2-7-11-14-13(16-15-11)19-10-12(18)17-8-5-3-4-6-9-17/h2-10H2,1H3,(H,14,15,16)