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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-ethynylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-(3-ethynylphenyl)pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(3-ethynylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-ethynylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(3-ethynylphenyl)nicotinamide Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O2S/c1-4-15-7-5-8-16(11-15)22-19(24)17-9-6-10-21-20(17)26-12-18-13(2)23-25-14(18)3/h1,5-11H,12H2,2-3H3,(H,22,24)