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

Systemtic Name: 1-(3-ethylphenyl)-5-oxidanylidene-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 1-(3-ethylphenyl)-5-oxo-N-[4-(3-pyridylmethylsulfanyl)phenyl]pyrrolidine-3-carboxamide CAS Name: 1-(3-ethylphenyl)-5-oxo-N-[4-(3-pyridinylmethylthio)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(3-ethylphenyl)-5-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 1-(3-ethylphenyl)-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:

CCC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

Isomeric SMILES

CCC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

InChI

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