1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethane-1,2-dione

Systemtic Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethane-1,2-dione Openeye Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[2-(2-thienyl)pyrrolidin-1-yl]ethane-1,2-dione CAS Name: 1-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethane-1,2-dione IUPAC Name: 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethane-1,2-dione Traditional Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[2-(2-thienyl)pyrrolidino]ethane-1,2-dione Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)N3CCCC3C4=CC=CS4

InChI

InChI=1S/C21H21N3O2S/c1-14-19(15(2)24(22-14)16-8-4-3-5-9-16)20(25)21(26)23-12-6-10-17(23)18-11-7-13-27-18/h3-5,7-9,11,13,17H,6,10,12H2,1-2H3