2-[(4-tert-butylphenyl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide CAS Name: 2-[(4-tert-butylphenyl)methylthio]-N-(3,4-dimethoxyphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide Traditional Name: 2-[(4-tert-butylbenzyl)thio]-N-(3,4-dimethoxyphenyl)nicotinamide Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H28N2O3S/c1-25(2,3)18-10-8-17(9-11-18)16-31-24-20(7-6-14-26-24)23(28)27-19-12-13-21(29-4)22(15-19)30-5/h6-15H,16H2,1-5H3,(H,27,28)