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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NO1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=NC(=NO1)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H22N6OS/c1-21(2,3)19-23-17(26-28-19)14-29-20-25-24-18(16-10-7-11-22-12-16)27(20)13-15-8-5-4-6-9-15/h4-12H,13-14H2,1-3H3