3-(methylsulfanylmethyl)-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(methylsulfanylmethyl)-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide Openeye Name: 3-(methylsulfanylmethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzofuran-2-carboxamide CAS Name: 3-[(methylthio)methyl]-N-(1,3,5-trimethyl-4-pyrazolyl)-2-benzofurancarboxamide IUPAC Name: 3-(methylsulfanylmethyl)-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(methylthio)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)coumarilamide Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C2=C(C3=CC=CC=C3O2)CSC

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C2=C(C3=CC=CC=C3O2)CSC

InChI

InChI=1S/C17H19N3O2S/c1-10-15(11(2)20(3)19-10)18-17(21)16-13(9-23-4)12-7-5-6-8-14(12)22-16/h5-8H,9H2,1-4H3,(H,18,21)