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

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-ethynylphenyl)benzamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-(3-ethynylphenyl)benzamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-(3-ethynylphenyl)benzamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-ethynylphenyl)benzamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(3-ethynylphenyl)benzamide Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C21H18N2O2S/c1-4-16-8-7-9-17(12-16)22-21(24)18-10-5-6-11-20(18)26-13-19-14(2)23-25-15(19)3/h1,5-12H,13H2,2-3H3,(H,22,24)