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

Systemtic Name: 1-(azocan-1-yl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(azocan-1-yl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-azocanyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(azocan-1-yl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(azocan-1-yl)-2-[(5-cyclopentyl-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(CCC1)C(=O)CSC2=NNC(=N2)C3CCCC3

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NNC(=N2)C3CCCC3

InChI

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