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

Systemtic Name: 5-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2S/c1-15(2)13-27-21(17-9-11-18(28-3)12-10-17)24-25-22(27)30-14-19-23-20(26-29-19)16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3