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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H28N4OS MolecularWeight: 336.49542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NNC(=N2)CCC3CCCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NNC(=N2)CCC3CCCC3

InChI

InChI=1S/C17H28N4OS/c22-16(21-11-5-1-2-6-12-21)13-23-17-18-15(19-20-17)10-9-14-7-3-4-8-14/h14H,1-13H2,(H,18,19,20)