2-phenylsulfanyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)pyridine-3-carboxamide

Systemtic Name: 2-phenylsulfanyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)pyridine-3-carboxamide Openeye Name: 2-phenylsulfanyl-N-(6-pyrrolidin-1-yl-3-pyridyl)pyridine-3-carboxamide CAS Name: 2-(phenylthio)-N-[6-(1-pyrrolidinyl)-3-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 2-phenylsulfanyl-N-(6-pyrrolidin-1-ylpyridin-3-yl)pyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-(6-pyrrolidino-3-pyridyl)nicotinamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c26-20(24-16-10-11-19(23-15-16)25-13-4-5-14-25)18-9-6-12-22-21(18)27-17-7-2-1-3-8-17/h1-3,6-12,15H,4-5,13-14H2,(H,24,26)