[3-[(4-chlorophenyl)sulfanylmethyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-[(4-chlorophenyl)sulfanylmethyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-[(4-chlorophenyl)sulfanylmethyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-[[(4-chlorophenyl)thio]methyl]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [3-[(4-chlorophenyl)sulfanylmethyl]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [3-[[(4-chlorophenyl)thio]methyl]phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C22H21ClN4OS MolecularWeight: 424.94634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=CC=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClN4OS/c23-19-5-7-20(8-6-19)29-16-17-3-1-4-18(15-17)21(28)26-11-13-27(14-12-26)22-24-9-2-10-25-22/h1-10,15H,11-14,16H2