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

Systemtic Name: 3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione Openeye Name: 3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione CAS Name: 3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione IUPAC Name: 3-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(4-ethylphenyl)pyrrolidine-2,5-dione Traditional Name: 3-[1-(1,3-benzothiazol-2-yl)-5-keto-3-methyl-3-pyrazolin-4-yl]-1-(4-ethylphenyl)pyrrolidine-2,5-quinone Formula: C23H20N4O3S MolecularWeight: 432.4949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=C(NN(C3=O)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=C(NN(C3=O)C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C23H20N4O3S/c1-3-14-8-10-15(11-9-14)26-19(28)12-16(21(26)29)20-13(2)25-27(22(20)30)23-24-17-6-4-5-7-18(17)31-23/h4-11,16,25H,3,12H2,1-2H3