1-[4-tert-butyl-2-phenyl-3-(2-phenylethynyl)-3H-1,2,4-triazol-5-yl]ethanone

Systemtic Name: 1-[4-tert-butyl-2-phenyl-3-(2-phenylethynyl)-3H-1,2,4-triazol-5-yl]ethanone Openeye Name: 1-[4-tert-butyl-2-phenyl-3-(2-phenylethynyl)-3H-1,2,4-triazol-5-yl]ethanone CAS Name: 1-[4-tert-butyl-2-phenyl-3-(2-phenylethynyl)-3H-1,2,4-triazol-5-yl]ethanone IUPAC Name: 1-[4-tert-butyl-2-phenyl-3-(2-phenylethynyl)-3H-1,2,4-triazol-5-yl]ethanone Traditional Name: 1-[4-tert-butyl-2-phenyl-3-(2-phenylethynyl)-3H-1,2,4-triazol-5-yl]ethanone Formula: C22H23N3O MolecularWeight: 345.43752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(N1C(C)(C)C)C#CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=NN(C(N1C(C)(C)C)C#CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O/c1-17(26)21-23-25(19-13-9-6-10-14-19)20(24(21)22(2,3)4)16-15-18-11-7-5-8-12-18/h5-14,20H,1-4H3