3-tert-butyl-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole

Systemtic Name: 3-tert-butyl-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=NO3)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=NO3)C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5OS/c1-15-10-12-17(13-11-15)27-19(16-8-6-5-7-9-16)24-25-21(27)29-14-18-23-20(26-28-18)22(2,3)4/h5-13H,14H2,1-4H3