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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-quinolin-2-yl-pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-(2-quinolyl)pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(2-quinolinyl)-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-quinolin-2-ylpyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(2-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=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=NC4=CC=CC=C4C=C3

InChI

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