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

Systemtic Name: 2-tert-butyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-5-yl]carbonyl]-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-5-carbonyl]-1H-pyrazol-3-one CAS Name: 2-tert-butyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-5-yl]-oxomethyl]-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-5-carbonyl]-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-5-carbonyl]-3-pyrazolin-3-one Formula: C23H20F3N3O2S MolecularWeight: 459.48401

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H20F3N3O2S/c1-12-15(19(30)16-11-27-29(21(16)31)22(2,3)4)9-10-17-18(12)28-20(32-17)13-5-7-14(8-6-13)23(24,25)26/h5-11,27H,1-4H3