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

Systemtic Name: 3-tert-butyl-5-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[[[4-(o-tolyl)-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:

CC1=CC=CC=C1N2C=NN=C2SCC3=NC(=NO3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC3=NC(=NO3)C(C)(C)C

InChI

InChI=1S/C16H19N5OS/c1-11-7-5-6-8-12(11)21-10-17-19-15(21)23-9-13-18-14(20-22-13)16(2,3)4/h5-8,10H,9H2,1-4H3