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

Systemtic Name: 1-(4-methoxyphenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methoxyphenyl)-2-[[5-(3-methyl-2-benzofuranyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[[5-(3-methyl-1-benzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methoxyphenyl)-2-[[5-(3-methylbenzofuran-2-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H21N3O3S/c1-17-21-10-6-7-11-23(21)32-24(17)25-27-28-26(29(25)19-8-4-3-5-9-19)33-16-22(30)18-12-14-20(31-2)15-13-18/h3-15H,16H2,1-2H3