N-(3-methylsulfanylphenyl)-6-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-6-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine-3-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-6-[2-(3-pyridyl)pyrrolidin-1-yl]pyridine-3-carboxamide CAS Name: N-[3-(methylthio)phenyl]-6-[2-(3-pyridinyl)-1-pyrrolidinyl]-3-pyridinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-6-(2-pyridin-3-ylpyrrolidin-1-yl)pyridine-3-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-6-[2-(3-pyridyl)pyrrolidino]nicotinamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CN=C(C=C2)N3CCCC3C4=CN=CC=C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CN=C(C=C2)N3CCCC3C4=CN=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-28-19-7-2-6-18(13-19)25-22(27)17-9-10-21(24-15-17)26-12-4-8-20(26)16-5-3-11-23-14-16/h2-3,5-7,9-11,13-15,20H,4,8,12H2,1H3,(H,25,27)