1-[4-(phenylmethyl)piperidin-1-yl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperidin-1-yl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperidinyl]-2-[[4-(1-pyrazolyl)phenyl]methylthio]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[(4-pyrazol-1-ylbenzyl)thio]ethanone Formula: C24H27N3OS MolecularWeight: 405.55568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C24H27N3OS/c28-24(26-15-11-21(12-16-26)17-20-5-2-1-3-6-20)19-29-18-22-7-9-23(10-8-22)27-14-4-13-25-27/h1-10,13-14,21H,11-12,15-19H2