N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(4-tert-butylphenyl)-2-(2-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(4-tert-butylphenyl)-2-(2-pyridinylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(4-tert-butylphenyl)-2-(2-pyridylmethylthio)nicotinamide Formula: C22H23N3OS MolecularWeight: 377.50252

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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=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=CC=N3

InChI

InChI=1S/C22H23N3OS/c1-22(2,3)16-9-11-17(12-10-16)25-20(26)19-8-6-14-24-21(19)27-15-18-7-4-5-13-23-18/h4-14H,15H2,1-3H3,(H,25,26)