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

Systemtic Name: 5-tert-butyl-3-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 5-tert-butyl-3-[[4-phenyl-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 5-tert-butyl-3-[[[4-phenyl-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 5-tert-butyl-3-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 5-tert-butyl-3-[[[4-phenyl-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole Formula: C22H30N6OS MolecularWeight: 426.5782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=CC=C2)SCC3=NOC(=N3)C(C)(C)C)N4CCCCC4

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=CC=C2)SCC3=NOC(=N3)C(C)(C)C)N4CCCCC4

InChI

InChI=1S/C22H30N6OS/c1-16(27-13-9-6-10-14-27)19-24-25-21(28(19)17-11-7-5-8-12-17)30-15-18-23-20(29-26-18)22(2,3)4/h5,7-8,11-12,16H,6,9-10,13-15H2,1-4H3