2-[[2-(propylamino)phenyl]methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-[[2-(propylamino)phenyl]methylsulfanyl]-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[[2-(propylamino)phenyl]methylsulfanyl]-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[[2-(propylamino)phenyl]methylthio]-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[[2-(propylamino)phenyl]methylsulfanyl]-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-[[2-(propylamino)benzyl]thio]-N-(4-pyridyl)nicotinamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3

Isomeric SMILES

CCCNC1=CC=CC=C1CSC2=C(C=CC=N2)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C21H22N4OS/c1-2-11-23-19-8-4-3-6-16(19)15-27-21-18(7-5-12-24-21)20(26)25-17-9-13-22-14-10-17/h3-10,12-14,23H,2,11,15H2,1H3,(H,22,25,26)