3-[(4-methylphenyl)methylsulfanyl]-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one Openeye Name: 3-(p-tolylmethylsulfanyl)-1-[4-[1-(2-pyridylmethyl)imidazol-2-yl]-1-piperidyl]propan-1-one CAS Name: 3-[(4-methylphenyl)methylthio]-1-[4-[1-(2-pyridinylmethyl)-2-imidazolyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one Traditional Name: 3-[(4-methylbenzyl)thio]-1-[4-[1-(2-pyridylmethyl)imidazol-2-yl]piperidino]propan-1-one Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCC(=O)N2CCC(CC2)C3=NC=CN3CC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)CSCCC(=O)N2CCC(CC2)C3=NC=CN3CC4=CC=CC=N4

InChI

InChI=1S/C25H30N4OS/c1-20-5-7-21(8-6-20)19-31-17-11-24(30)28-14-9-22(10-15-28)25-27-13-16-29(25)18-23-4-2-3-12-26-23/h2-8,12-13,16,22H,9-11,14-15,17-19H2,1H3