N-(3,5-ditert-butylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(3,5-ditert-butylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(3,5-ditert-butylphenyl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(3,5-ditert-butylphenyl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(3,5-ditert-butylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(3,5-ditert-butylphenyl)-2-(4-pyridylmethylthio)nicotinamide Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3OS/c1-25(2,3)19-14-20(26(4,5)6)16-21(15-19)29-23(30)22-8-7-11-28-24(22)31-17-18-9-12-27-13-10-18/h7-16H,17H2,1-6H3,(H,29,30)