N-(3-methylsulfanylphenyl)-6-(2-pyridin-4-ylpyrrolidin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-6-(2-pyridin-4-ylpyrrolidin-1-yl)pyridine-3-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-6-[2-(4-pyridyl)pyrrolidin-1-yl]pyridine-3-carboxamide CAS Name: N-[3-(methylthio)phenyl]-6-(2-pyridin-4-yl-1-pyrrolidinyl)-3-pyridinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-6-(2-pyridin-4-ylpyrrolidin-1-yl)pyridine-3-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-6-[2-(4-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=CC=NC=C4

Isomeric SMILES

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

InChI

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