2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-(3-methylbutyl)-N-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-(3-methylbutyl)-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-isopentyl-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[(2,4-dimethoxyphenyl)methylthio]-6-(3-methylbutyl)-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-(3-methylbutyl)-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-[(2,4-dimethoxybenzyl)thio]-6-isoamyl-N-(4-pyridyl)nicotinamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=NC(=C(C=C1)C(=O)NC2=CC=NC=C2)SCC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CC(C)CCC1=NC(=C(C=C1)C(=O)NC2=CC=NC=C2)SCC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C25H29N3O3S/c1-17(2)5-7-19-8-10-22(24(29)27-20-11-13-26-14-12-20)25(28-19)32-16-18-6-9-21(30-3)15-23(18)31-4/h6,8-15,17H,5,7,16H2,1-4H3,(H,26,27,29)