2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(8-chloro-1-naphthyl)sulfanyl]-1-[4-(4-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]-1-(4-pyridin-4-yl-1-piperazinyl)ethanone IUPAC Name: 2-(8-chloronaphthalen-1-yl)sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(8-chloro-1-naphthyl)thio]-1-[4-(4-pyridyl)piperazino]ethanone Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

InChI

InChI=1S/C21H20ClN3OS/c22-18-5-1-3-16-4-2-6-19(21(16)18)27-15-20(26)25-13-11-24(12-14-25)17-7-9-23-10-8-17/h1-10H,11-15H2