2-phenyl-2-phenylsulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-phenyl-2-phenylsulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-phenyl-2-phenylsulfanyl-1-[4-(4-pyridylmethyl)piperazin-1-yl]ethanone CAS Name: 2-phenyl-2-(phenylthio)-1-[4-(pyridin-4-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-phenyl-2-phenylsulfanyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-phenyl-2-(phenylthio)-1-[4-(4-pyridylmethyl)piperazino]ethanone Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C24H25N3OS/c28-24(27-17-15-26(16-18-27)19-20-11-13-25-14-12-20)23(21-7-3-1-4-8-21)29-22-9-5-2-6-10-22/h1-14,23H,15-19H2