5-methoxy-3-methyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1-benzofuran-2-carboxamide

Systemtic Name: 5-methoxy-3-methyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1-benzofuran-2-carboxamide Openeye Name: N-[3-(4-isobutyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-5-methoxy-3-methyl-benzofuran-2-carboxamide CAS Name: 5-methoxy-3-methyl-N-[3-[4-(2-methylpropyl)-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-2-benzofurancarboxamide IUPAC Name: 5-methoxy-3-methyl-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]-1-benzofuran-2-carboxamide Traditional Name: N-[3-[4-isobutyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-5-methoxy-3-methyl-coumarilamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCCCC3=NN=C(N3CC(C)C)SC

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NCCCC3=NN=C(N3CC(C)C)SC

InChI

InChI=1S/C21H28N4O3S/c1-13(2)12-25-18(23-24-21(25)29-5)7-6-10-22-20(26)19-14(3)16-11-15(27-4)8-9-17(16)28-19/h8-9,11,13H,6-7,10,12H2,1-5H3,(H,22,26)