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

Systemtic Name: 5-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(phenylmethyl)-1,2,4-oxadiazole Openeye Name: 3-benzyl-5-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 5-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-(phenylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-benzyl-5-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-benzyl-5-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,4-oxadiazole Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2=NC(=NO2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=NC(=NO2)CC3=CC=CC=C3

InChI

InChI=1S/C16H19N5OS/c1-16(2,3)14-18-15(20-19-14)23-10-13-17-12(21-22-13)9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,18,19,20)