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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(phenylmethyl)pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-(2-benzylpyrazol-3-yl)-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[2-(phenylmethyl)-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-(2-benzylpyrazol-3-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(2-benzylpyrazol-3-yl)-2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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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=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CC=NN3CC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-15-19(16(2)29-26-15)14-30-22-18(9-6-11-23-22)21(28)25-20-10-12-24-27(20)13-17-7-4-3-5-8-17/h3-12H,13-14H2,1-2H3,(H,25,28)