5-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]-3-(phenylmethyl)-1,2,4-oxadiazole

Systemtic Name: 5-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]-3-(phenylmethyl)-1,2,4-oxadiazole Openeye Name: 3-benzyl-5-[(1-isobutylbenzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 5-[[[1-(2-methylpropyl)-2-benzimidazolyl]thio]methyl]-3-(phenylmethyl)-1,2,4-oxadiazole IUPAC Name: 3-benzyl-5-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-benzyl-5-[[(1-isobutylbenzimidazol-2-yl)thio]methyl]-1,2,4-oxadiazole Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1SCC3=NC(=NO3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1SCC3=NC(=NO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c1-15(2)13-25-18-11-7-6-10-17(18)22-21(25)27-14-20-23-19(24-26-20)12-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3