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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(2-phenylmethoxypyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[(2-benzyloxy-4-pyridyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(2-phenylmethoxypyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: 2-[(2-benzoxy-4-pyridyl)methylthio]-N-(3,5-dimethylphenyl)nicotinamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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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)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C27H25N3O2S/c1-19-13-20(2)15-23(14-19)30-26(31)24-9-6-11-29-27(24)33-18-22-10-12-28-25(16-22)32-17-21-7-4-3-5-8-21/h3-16H,17-18H2,1-2H3,(H,30,31)