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

Systemtic Name: 5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(phenylmethyl)-1,2,4-oxadiazole Openeye Name: 3-benzyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 5-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-(phenylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-benzyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-benzyl-5-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,4-oxadiazole Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=NC(=NO2)CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NN1)SCC2=NC(=NO2)CC3=CC=CC=C3

InChI

InChI=1S/C13H13N5OS/c1-9-14-13(17-16-9)20-8-12-15-11(18-19-12)7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,14,16,17)