N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(methylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[(methylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-[(methylthio)methyl]coumarilamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSC

Isomeric SMILES

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSC

InChI

InChI=1S/C21H20N4O2S/c1-3-25-13-22-24-20(25)14-7-6-8-15(11-14)23-21(26)19-17(12-28-2)16-9-4-5-10-18(16)27-19/h4-11,13H,3,12H2,1-2H3,(H,23,26)