[2-(3-fluorophenyl)-5-methyl-pyrazol-3-yl]-[4-(2-methylsulfanylphenyl)piperazin-1-yl]methanone

Systemtic Name: [2-(3-fluorophenyl)-5-methyl-pyrazol-3-yl]-[4-(2-methylsulfanylphenyl)piperazin-1-yl]methanone Openeye Name: [2-(3-fluorophenyl)-5-methyl-pyrazol-3-yl]-[4-(2-methylsulfanylphenyl)piperazin-1-yl]methanone CAS Name: [2-(3-fluorophenyl)-5-methyl-3-pyrazolyl]-[4-[2-(methylthio)phenyl]-1-piperazinyl]methanone IUPAC Name: [2-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[4-(2-methylsulfanylphenyl)piperazin-1-yl]methanone Traditional Name: [2-(3-fluorophenyl)-5-methyl-pyrazol-3-yl]-[4-[2-(methylthio)phenyl]piperazino]methanone Formula: C22H23FN4OS MolecularWeight: 410.507623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3SC)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3SC)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H23FN4OS/c1-16-14-20(27(24-16)18-7-5-6-17(23)15-18)22(28)26-12-10-25(11-13-26)19-8-3-4-9-21(19)29-2/h3-9,14-15H,10-13H2,1-2H3