N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(2-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(2-fluorophenyl)piperazine-1-carbothioamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(2-fluorophenyl)piperazine-1-carbothioamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(2-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(2-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-fluorophenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)piperazine-1-carbothioamide Formula: C22H24FN5OS MolecularWeight: 425.522263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H24FN5OS/c1-16-20(21(29)28(25(16)2)17-8-4-3-5-9-17)24-22(30)27-14-12-26(13-15-27)19-11-7-6-10-18(19)23/h3-11H,12-15H2,1-2H3,(H,24,30)