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

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazino]methanone Formula: C19H25ClN4OS MolecularWeight: 392.946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C19H25ClN4OS/c1-4-24-13-15(14(2)21-24)12-22-7-9-23(10-8-22)19(25)17-11-16(26-3)5-6-18(17)20/h5-6,11,13H,4,7-10,12H2,1-3H3