2-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[[5-(benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholino-ethanone CAS Name: 2-[[5-(2-benzofuranyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone Traditional Name: 2-[[5-(benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-morpholino-ethanone Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1COCCN1C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C22H20N4O3S/c27-20(25-10-12-28-13-11-25)15-30-22-24-23-21(26(22)17-7-2-1-3-8-17)19-14-16-6-4-5-9-18(16)29-19/h1-9,14H,10-13,15H2