2-[(2-azanylpyridin-4-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(2-azanylpyridin-4-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(2-amino-4-pyridyl)methylsulfanyl]-N-(3-isopropylphenyl)pyridine-3-carboxamide CAS Name: 2-[(2-amino-4-pyridinyl)methylthio]-N-(3-propan-2-ylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-aminopyridin-4-yl)methylsulfanyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-amino-4-pyridyl)methylthio]-N-m-cumenyl-nicotinamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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