N-(3,5-dimethylphenyl)-2-[(2-propan-2-yloxypyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(2-propan-2-yloxypyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(2-isopropoxy-4-pyridyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[(2-propan-2-yloxy-4-pyridinyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(2-propan-2-yloxypyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(2-isopropoxy-4-pyridyl)methylthio]nicotinamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)OC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)OC(C)C)C

InChI

InChI=1S/C23H25N3O2S/c1-15(2)28-21-13-18(7-9-24-21)14-29-23-20(6-5-8-25-23)22(27)26-19-11-16(3)10-17(4)12-19/h5-13,15H,14H2,1-4H3,(H,26,27)