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

Systemtic Name: 2-[[4-methyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[[4-methyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[[4-methyl-5-(3-methyl-2-benzofuranyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[[4-methyl-5-(3-methyl-1-benzofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[[4-methyl-5-(3-methylbenzofuran-2-yl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylphenyl)ethanone Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C)SCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C3=NN=C(N3C)SCC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H21N3O2S/c1-17-21-10-6-7-11-23(21)31-24(17)25-27-28-26(29(25)2)32-16-22(30)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-15H,16H2,1-2H3