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

Systemtic Name: 3-tert-butyl-5-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=NO3)C(C)(C)C)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=NO3)C(C)(C)C)N4CCCCC4

InChI

InChI=1S/C21H28N6OS/c1-15-8-10-16(11-9-15)27-19(26-12-6-5-7-13-26)23-24-20(27)29-14-17-22-18(25-28-17)21(2,3)4/h8-11H,5-7,12-14H2,1-4H3