3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione

Systemtic Name: 3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione Openeye Name: 3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione CAS Name: 3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-dione Traditional Name: 3-[1-(1,3-benzothiazol-2-yl)-5-keto-3-methyl-3-pyrazolin-4-yl]-1-(3-fluorophenyl)pyrrolidine-2,5-quinone Formula: C21H15FN4O3S MolecularWeight: 422.432203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C4CC(=O)N(C4=O)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)C4CC(=O)N(C4=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C21H15FN4O3S/c1-11-18(14-10-17(27)25(19(14)28)13-6-4-5-12(22)9-13)20(29)26(24-11)21-23-15-7-2-3-8-16(15)30-21/h2-9,14,24H,10H2,1H3