1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrrolidine-3-carboxamide CAS Name: 1-[4-(methylthio)phenyl]-5-oxo-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 5-keto-1-[4-(methylthio)phenyl]-N-[3-[2-(2-pyridyl)ethynyl]phenyl]pyrrolidine-3-carboxamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C25H21N3O2S/c1-31-23-12-10-22(11-13-23)28-17-19(16-24(28)29)25(30)27-21-7-4-5-18(15-21)8-9-20-6-2-3-14-26-20/h2-7,10-15,19H,16-17H2,1H3,(H,27,30)