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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=CC=CC=C5O4

InChI

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