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

Systemtic Name: 1-(azepan-1-yl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C15H24N4OS MolecularWeight: 308.44226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NNC(=N2)C3CCCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NNC(=N2)C3CCCC3

InChI

InChI=1S/C15H24N4OS/c20-13(19-9-5-1-2-6-10-19)11-21-15-16-14(17-18-15)12-7-3-4-8-12/h12H,1-11H2,(H,16,17,18)