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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1COCCN1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC5=CC=CC=C5O4

InChI

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