3-tert-butyl-5-[1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole

Systemtic Name: 3-tert-butyl-5-[1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[1-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[1-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[1-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]-1,2,4-oxadiazole Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C(C)(C)C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC(C1=NC(=NO1)C(C)(C)C)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4

InChI

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