2-[(3,4-dichlorophenyl)methylsulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C17H18Cl2N4OS MolecularWeight: 397.32202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H18Cl2N4OS/c18-14-3-2-13(10-15(14)19)11-25-12-16(24)22-6-8-23(9-7-22)17-20-4-1-5-21-17/h1-5,10H,6-9,11-12H2