(2-chloranyl-5-methylsulfanyl-phenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazino]methanone Formula: C17H21ClN4OS MolecularWeight: 364.89284

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C17H21ClN4OS/c1-20-11-13(10-19-20)12-21-5-7-22(8-6-21)17(23)15-9-14(24-2)3-4-16(15)18/h3-4,9-11H,5-8,12H2,1-2H3