2-[(2-chloranylpyridin-4-yl)methylsulfanyl]-N-(4-propylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(2-chloranylpyridin-4-yl)methylsulfanyl]-N-(4-propylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(2-chloro-4-pyridyl)methylsulfanyl]-N-(4-propylphenyl)pyridine-3-carboxamide CAS Name: 2-[(2-chloro-4-pyridinyl)methylthio]-N-(4-propylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-chloropyridin-4-yl)methylsulfanyl]-N-(4-propylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-chloro-4-pyridyl)methylthio]-N-(4-propylphenyl)nicotinamide Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)Cl

InChI

InChI=1S/C21H20ClN3OS/c1-2-4-15-6-8-17(9-7-15)25-20(26)18-5-3-11-24-21(18)27-14-16-10-12-23-19(22)13-16/h3,5-13H,2,4,14H2,1H3,(H,25,26)