1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethane-1,2-dione

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethane-1,2-dione Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethane-1,2-dione CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)ethane-1,2-dione IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethane-1,2-dione Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethane-1,2-dione Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)N3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)N3CCCC3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H22N4O2S/c1-15-21(16(2)28(26-15)17-9-4-3-5-10-17)22(29)24(30)27-14-8-12-19(27)23-25-18-11-6-7-13-20(18)31-23/h3-7,9-11,13,19H,8,12,14H2,1-2H3