1-(2,3-dimethylphenyl)-5-oxidanylidene-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(2,3-dimethylphenyl)-5-oxidanylidene-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide Openeye Name: 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(2-thienylmethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide CAS Name: 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(thiophen-2-ylmethyl)-3-pyrazolyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(2,3-dimethylphenyl)-5-oxo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide Traditional Name: 1-(2,3-dimethylphenyl)-5-keto-N-[2-(2-thenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC=NN3CC4=CC=CS4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC=NN3CC4=CC=CS4)C

InChI

InChI=1S/C21H22N4O2S/c1-14-5-3-7-18(15(14)2)24-12-16(11-20(24)26)21(27)23-19-8-9-22-25(19)13-17-6-4-10-28-17/h3-10,16H,11-13H2,1-2H3,(H,23,27)