N-(3,5-dimethylphenyl)-2-[(2-phenylazanylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(2-phenylazanylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[(2-anilino-4-pyridyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: 2-[(2-anilino-4-pyridinyl)methylthio]-N-(3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-anilinopyridin-4-yl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-anilino-4-pyridyl)methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C26H24N4OS MolecularWeight: 440.55996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC4=CC=CC=C4)C

InChI

InChI=1S/C26H24N4OS/c1-18-13-19(2)15-22(14-18)30-25(31)23-9-6-11-28-26(23)32-17-20-10-12-27-24(16-20)29-21-7-4-3-5-8-21/h3-16H,17H2,1-2H3,(H,27,29)(H,30,31)