N-methylsulfonyl-5-(2-phenylethynyl)-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide

Systemtic Name: N-methylsulfonyl-5-(2-phenylethynyl)-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide Openeye Name: N-methylsulfonyl-5-(2-phenylethynyl)-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide CAS Name: N-methylsulfonyl-5-(2-phenylethynyl)-N-(1,3,5-trimethyl-4-pyrazolyl)-2-furancarboxamide IUPAC Name: N-methylsulfonyl-5-(2-phenylethynyl)-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide Traditional Name: N-mesyl-5-(2-phenylethynyl)-N-(1,3,5-trimethylpyrazol-4-yl)-2-furamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)N(C(=O)C2=CC=C(O2)C#CC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1C)C)N(C(=O)C2=CC=C(O2)C#CC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H19N3O4S/c1-14-19(15(2)22(3)21-14)23(28(4,25)26)20(24)18-13-12-17(27-18)11-10-16-8-6-5-7-9-16/h5-9,12-13H,1-4H3