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

Systemtic Name: 1-(1-benzofuran-2-yl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(benzofuran-2-yl)-2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-benzofuranyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-benzofuran-2-yl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(benzofuran-2-yl)-2-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H19N3O2S/c1-17-8-7-10-19(14-17)24-26-27-25(28(24)20-11-3-2-4-12-20)31-16-21(29)23-15-18-9-5-6-13-22(18)30-23/h2-15H,16H2,1H3