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

Systemtic Name: N-(4-morpholin-4-ylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-(4-morpholinophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[4-(4-morpholinyl)phenyl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-(4-morpholinophenyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSC5=NC=NN5

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSC5=NC=NN5

InChI

InChI=1S/C22H21N5O3S/c28-21(25-15-5-7-16(8-6-15)27-9-11-29-12-10-27)20-18(13-31-22-23-14-24-26-22)17-3-1-2-4-19(17)30-20/h1-8,14H,9-13H2,(H,25,28)(H,23,24,26)