1-(2,3-dimethylphenyl)-5-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(2,3-dimethylphenyl)-5-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(2,3-dimethylphenyl)-5-oxo-N-[4-(3-pyridylmethylsulfanyl)phenyl]pyrrolidine-3-carboxamide CAS Name: 1-(2,3-dimethylphenyl)-5-oxo-N-[4-(3-pyridinylmethylthio)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(2,3-dimethylphenyl)-5-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-(2,3-dimethylphenyl)-5-keto-N-[4-(3-pyridylmethylthio)phenyl]pyrrolidine-3-carboxamide Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4)C

InChI

InChI=1S/C25H25N3O2S/c1-17-5-3-7-23(18(17)2)28-15-20(13-24(28)29)25(30)27-21-8-10-22(11-9-21)31-16-19-6-4-12-26-14-19/h3-12,14,20H,13,15-16H2,1-2H3,(H,27,30)