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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H26N4OS MolecularWeight: 322.46884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NNC(=N2)CC3CCCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NNC(=N2)CC3CCCC3

InChI

InChI=1S/C16H26N4OS/c21-15(20-9-5-1-2-6-10-20)12-22-16-17-14(18-19-16)11-13-7-3-4-8-13/h13H,1-12H2,(H,17,18,19)