2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-quinolin-3-yl-pyridine-3-carboxamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-quinolin-3-yl-pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-(3-quinolyl)pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(3-quinolinyl)-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-quinolin-3-ylpyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(3-quinolyl)nicotinamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H18N4O2S/c1-13-18(14(2)27-25-13)12-28-21-17(7-5-9-22-21)20(26)24-16-10-15-6-3-4-8-19(15)23-11-16/h3-11H,12H2,1-2H3,(H,24,26)