3-[(2-chlorophenyl)methylsulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(2-chlorophenyl)methylthio]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(2-chlorobenzyl)thio]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C19H22ClN3OS MolecularWeight: 375.91548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CCSCC3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CCSCC3=CC=CC=C3Cl

InChI

InChI=1S/C19H22ClN3OS/c20-17-6-2-1-5-16(17)15-25-14-8-19(24)23-12-10-22(11-13-23)18-7-3-4-9-21-18/h1-7,9H,8,10-15H2