5-[[4-(2-methylpropyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(2-methylpropyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole Openeye Name: 5-[(4-isobutyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[[4-(2-methylpropyl)-5-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(2-methylpropyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-thiophen-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[(4-isobutyl-5-phenethyl-1,2,4-triazol-3-yl)thio]methyl]-3-(2-thienyl)-1,2,4-oxadiazole Formula: C21H23N5OS2 MolecularWeight: 425.57022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=NC(=NO2)C3=CC=CS3)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=NC(=NO2)C3=CC=CS3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS2/c1-15(2)13-26-18(11-10-16-7-4-3-5-8-16)23-24-21(26)29-14-19-22-20(25-27-19)17-9-6-12-28-17/h3-9,12,15H,10-11,13-14H2,1-2H3