2-tert-butyl-4-[[2-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-5-yl]carbonyl]-1H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-4-[[2-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-5-yl]carbonyl]-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-[2-(4-fluorophenyl)-4-methyl-1,3-benzothiazole-5-carbonyl]-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[[2-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-5-yl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-[2-(4-fluorophenyl)-4-methyl-1,3-benzothiazole-5-carbonyl]-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-[2-(4-fluorophenyl)-4-methyl-1,3-benzothiazole-5-carbonyl]-3-pyrazolin-3-one Formula: C22H20FN3O2S MolecularWeight: 409.476503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)C3=CC=C(C=C3)F)C(=O)C4=CNN(C4=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)C3=CC=C(C=C3)F)C(=O)C4=CNN(C4=O)C(C)(C)C

InChI

InChI=1S/C22H20FN3O2S/c1-12-15(19(27)16-11-24-26(21(16)28)22(2,3)4)9-10-17-18(12)25-20(29-17)13-5-7-14(23)8-6-13/h5-11,24H,1-4H3