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

Systemtic Name: N-(4-tert-butylphenyl)-2-[(2-cyanopyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(4-tert-butylphenyl)-2-[(2-cyano-4-pyridyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(4-tert-butylphenyl)-2-[(2-cyano-4-pyridinyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-2-[(2-cyanopyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(4-tert-butylphenyl)-2-[(2-cyano-4-pyridyl)methylthio]nicotinamide Formula: C23H22N4OS MolecularWeight: 402.51198

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4OS/c1-23(2,3)17-6-8-18(9-7-17)27-21(28)20-5-4-11-26-22(20)29-15-16-10-12-25-19(13-16)14-24/h4-13H,15H2,1-3H3,(H,27,28)