6-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]sulfanylpyridine-3-carboxamide

Systemtic Name: 6-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]sulfanylpyridine-3-carboxamide Openeye Name: 6-[4-[[2-(4-pyridyl)ethylamino]methyl]phenyl]sulfanylpyridine-3-carboxamide CAS Name: 6-[[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]thio]-3-pyridinecarboxamide IUPAC Name: 6-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]sulfanylpyridine-3-carboxamide Traditional Name: 6-[[4-[[2-(4-pyridyl)ethylamino]methyl]phenyl]thio]nicotinamide Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNCCC2=CC=NC=C2)SC3=NC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNCCC2=CC=NC=C2)SC3=NC=C(C=C3)C(=O)N

InChI

InChI=1S/C20H20N4OS/c21-20(25)17-3-6-19(24-14-17)26-18-4-1-16(2-5-18)13-23-12-9-15-7-10-22-11-8-15/h1-8,10-11,14,23H,9,12-13H2,(H2,21,25)