N-(3,5-dimethylphenyl)-2-[(6-methoxyquinolin-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(6-methoxyquinolin-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(6-methoxy-4-quinolyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[(6-methoxy-4-quinolinyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(6-methoxyquinolin-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(6-methoxy-4-quinolyl)methylthio]nicotinamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=C4C=C(C=CC4=NC=C3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=C4C=C(C=CC4=NC=C3)OC)C

InChI

InChI=1S/C25H23N3O2S/c1-16-11-17(2)13-19(12-16)28-24(29)21-5-4-9-27-25(21)31-15-18-8-10-26-23-7-6-20(30-3)14-22(18)23/h4-14H,15H2,1-3H3,(H,28,29)