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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-ethynylphenyl)ethanamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-(3-ethynylphenyl)acetamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(3-ethynylphenyl)acetamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-ethynylphenyl)acetamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(3-ethynylphenyl)acetamide Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NC2=CC=CC(=C2)C#C

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NC2=CC=CC(=C2)C#C

InChI

InChI=1S/C16H16N2O2S/c1-4-13-6-5-7-14(8-13)17-16(19)10-21-9-15-11(2)18-20-12(15)3/h1,5-8H,9-10H2,2-3H3,(H,17,19)