(2-chloranyl-5-methylsulfanyl-phenyl)-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazino]methanone Formula: C24H27ClN4OS MolecularWeight: 455.01538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)C4=C(C=CC(=C4)SC)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)C4=C(C=CC(=C4)SC)Cl

InChI

InChI=1S/C24H27ClN4OS/c1-17-22(18(2)29(26-17)19-7-5-4-6-8-19)16-27-11-13-28(14-12-27)24(30)21-15-20(31-3)9-10-23(21)25/h4-10,15H,11-14,16H2,1-3H3