(3S)-3-tert-butyl-2,5-diphenyl-4-(2-phenylethynyl)-3H-1,2,4-triazole

Systemtic Name: (3S)-3-tert-butyl-2,5-diphenyl-4-(2-phenylethynyl)-3H-1,2,4-triazole Openeye Name: (3S)-3-tert-butyl-2,5-diphenyl-4-(2-phenylethynyl)-3H-1,2,4-triazole CAS Name: (3S)-3-tert-butyl-2,5-diphenyl-4-(2-phenylethynyl)-3H-1,2,4-triazole IUPAC Name: (3S)-3-tert-butyl-2,5-diphenyl-4-(2-phenylethynyl)-3H-1,2,4-triazole Traditional Name: (3S)-3-tert-butyl-2,5-diphenyl-4-(2-phenylethynyl)-3H-1,2,4-triazole Formula: C26H25N3 MolecularWeight: 379.4968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1N(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)[C@H]1N(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H25N3/c1-26(2,3)25-28(20-19-21-13-7-4-8-14-21)24(22-15-9-5-10-16-22)27-29(25)23-17-11-6-12-18-23/h4-18,25H,1-3H3/t25-/m0/s1