N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(2,5-diethoxy-4-morpholin-4-yl-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-(2,5-diethoxy-4-morpholino-phenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-(2,5-diethoxy-4-morpholino-phenyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C26H29N5O5S MolecularWeight: 523.60396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=C(C4=CC=CC=C4O3)CSC5=NC=NN5

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)C3=C(C4=CC=CC=C4O3)CSC5=NC=NN5

InChI

InChI=1S/C26H29N5O5S/c1-3-34-22-14-20(31-9-11-33-12-10-31)23(35-4-2)13-19(22)29-25(32)24-18(15-37-26-27-16-28-30-26)17-7-5-6-8-21(17)36-24/h5-8,13-14,16H,3-4,9-12,15H2,1-2H3,(H,29,32)(H,27,28,30)