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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[2-(2-pyridylmethyl)pyrazol-3-yl]pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[2-(2-pyridinylmethyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[2-(2-pyridylmethyl)pyrazol-3-yl]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)NC3=CC=NN3CC4=CC=CC=N4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CC=NN3CC4=CC=CC=N4

InChI

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