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

Systemtic Name: 3-tert-butyl-5-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[[4-(2-methoxyphenyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[[[4-(2-methoxyphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[[4-(2-methoxyphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[[[4-(2-methoxyphenyl)-5-piperidino-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=N1)CSC2=NN=C(N2C3=CC=CC=C3OC)N4CCCCC4

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)CSC2=NN=C(N2C3=CC=CC=C3OC)N4CCCCC4

InChI

InChI=1S/C21H28N6O2S/c1-21(2,3)18-22-17(29-25-18)14-30-20-24-23-19(26-12-8-5-9-13-26)27(20)15-10-6-7-11-16(15)28-4/h6-7,10-11H,5,8-9,12-14H2,1-4H3