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

Systemtic Name: (3S)-3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[1-(1,3-benzothiazol-2-yl)-5-keto-3-methyl-3-pyrazolin-4-yl]-1-phenyl-pyrrolidine-2,5-quinone Formula: C21H16N4O3S MolecularWeight: 404.44174

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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

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3S2)[C@@H]4CC(=O)N(C4=O)C5=CC=CC=C5

InChI

InChI=1S/C21H16N4O3S/c1-12-18(14-11-17(26)24(19(14)27)13-7-3-2-4-8-13)20(28)25(23-12)21-22-15-9-5-6-10-16(15)29-21/h2-10,14,23H,11H2,1H3/t14-/m0/s1