3,5-dimethyl-N-[[3-(2-pyridin-3-ylethynyl)phenyl]carbamothioyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[[3-(2-pyridin-3-ylethynyl)phenyl]carbamothioyl]-1,2-oxazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-[[3-[2-(3-pyridyl)ethynyl]phenyl]carbamothioyl]isoxazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[[3-[2-(3-pyridinyl)ethynyl]anilino]-sulfanylidenemethyl]-4-isoxazolecarboxamide IUPAC Name: 3,5-dimethyl-N-[[3-(2-pyridin-3-ylethynyl)phenyl]carbamothioyl]-1,2-oxazole-4-carboxamide Traditional Name: 3,5-dimethyl-N-[[3-[2-(3-pyridyl)ethynyl]phenyl]thiocarbamoyl]isoxazole-4-carboxamide Formula: C20H16N4O2S MolecularWeight: 376.43164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)NC(=S)NC2=CC=CC(=C2)C#CC3=CN=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)NC(=S)NC2=CC=CC(=C2)C#CC3=CN=CC=C3

InChI

InChI=1S/C20H16N4O2S/c1-13-18(14(2)26-24-13)19(25)23-20(27)22-17-7-3-5-15(11-17)8-9-16-6-4-10-21-12-16/h3-7,10-12H,1-2H3,(H2,22,23,25,27)