2-[(2-azanylpyridin-4-yl)methylsulfanyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide hydrochloride

Systemtic Name: 2-[(2-azanylpyridin-4-yl)methylsulfanyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide hydrochloride Openeye Name: 2-[(2-amino-4-pyridyl)methylsulfanyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide hydrochloride CAS Name: 2-[(2-amino-4-pyridinyl)methylthio]-N-(4-tert-butylphenyl)-3-pyridinecarboxamide hydrochloride IUPAC Name: 2-[(2-aminopyridin-4-yl)methylsulfanyl]-N-(4-tert-butylphenyl)pyridine-3-carboxamide hydrochloride Traditional Name: 2-[(2-amino-4-pyridyl)methylthio]-N-(4-tert-butylphenyl)nicotinamide hydrochloride Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4OS.ClH/c1-22(2,3)16-6-8-17(9-7-16)26-20(27)18-5-4-11-25-21(18)28-14-15-10-12-24-19(23)13-15;/h4-13H,14H2,1-3H3,(H2,23,24)(H,26,27);1H