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

Systemtic Name: 1-(1-benzofuran-2-yl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(benzofuran-2-yl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-benzofuranyl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-benzofuran-2-yl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(benzofuran-2-yl)-2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O2S/c1-28(2,3)21-15-13-19(14-16-21)26-29-30-27(31(26)22-10-5-4-6-11-22)34-18-23(32)25-17-20-9-7-8-12-24(20)33-25/h4-17H,18H2,1-3H3