5-(1,2-dithiolan-3-yl)-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pentan-1-one

Systemtic Name: 5-(1,2-dithiolan-3-yl)-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pentan-1-one Openeye Name: 5-(dithiolan-3-yl)-1-[4-[1-(2-pyridylmethyl)imidazol-2-yl]-1-piperidyl]pentan-1-one CAS Name: 5-(3-dithiolanyl)-1-[4-[1-(2-pyridinylmethyl)-2-imidazolyl]-1-piperidinyl]-1-pentanone IUPAC Name: 5-(dithiolan-3-yl)-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pentan-1-one Traditional Name: 5-(dithiolan-3-yl)-1-[4-[1-(2-pyridylmethyl)imidazol-2-yl]piperidino]pentan-1-one Formula: C22H30N4OS2 MolecularWeight: 430.6298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CC3=CC=CC=N3)C(=O)CCCCC4CCSS4

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CC3=CC=CC=N3)C(=O)CCCCC4CCSS4

InChI

InChI=1S/C22H30N4OS2/c27-21(7-2-1-6-20-10-16-28-29-20)25-13-8-18(9-14-25)22-24-12-15-26(22)17-19-5-3-4-11-23-19/h3-5,11-12,15,18,20H,1-2,6-10,13-14,16-17H2