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

Systemtic Name: 3-tert-butyl-5-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[[[4-(2-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[[[4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=NO3)C(C)(C)C)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=NO3)C(C)(C)C)C4=CN=CC=C4

InChI

InChI=1S/C21H22N6OS/c1-14-8-5-6-10-16(14)27-18(15-9-7-11-22-12-15)24-25-20(27)29-13-17-23-19(26-28-17)21(2,3)4/h5-12H,13H2,1-4H3