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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[(2-imidazol-1-yl-3-pyridyl)methyl]pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[[2-(1-imidazolyl)-3-pyridinyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(2-imidazol-1-ylpyridin-3-yl)methyl]pyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[(2-imidazol-1-yl-3-pyridyl)methyl]nicotinamide Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCC3=C(N=CC=C3)N4C=CN=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCC3=C(N=CC=C3)N4C=CN=C4

InChI

InChI=1S/C21H20N6O2S/c1-14-18(15(2)29-26-14)12-30-21-17(6-4-8-24-21)20(28)25-11-16-5-3-7-23-19(16)27-10-9-22-13-27/h3-10,13H,11-12H2,1-2H3,(H,25,28)