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

Systemtic Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Openeye Name: 2-[[5-(7-methoxybenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone CAS Name: 2-[[5-(7-methoxy-2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone IUPAC Name: 2-[[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone Traditional Name: 2-[[5-(7-methoxybenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)C3=CC4=C(O3)C(=CC=C4)OC

InChI

InChI=1S/C21H19N3O4S/c1-24-20(18-11-14-5-4-6-17(27-3)19(14)28-18)22-23-21(24)29-12-16(25)13-7-9-15(26-2)10-8-13/h4-11H,12H2,1-3H3