2-[[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-ethyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-ethyl-5-(7-methoxy-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-ethyl-5-(7-methoxy-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-ethyl-5-(7-methoxybenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC4=C(O3)C(=CC=C4)OC

InChI

InChI=1S/C21H19N3O3S/c1-3-24-20(18-12-15-10-7-11-17(26-2)19(15)27-18)22-23-21(24)28-13-16(25)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3