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

Systemtic Name: 3-(2,4-dimethoxyphenyl)-5-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 5-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole CAS Name: 3-(2,4-dimethoxyphenyl)-5-[[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole IUPAC Name: 5-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-[[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole Formula: C21H21N5O3S MolecularWeight: 423.48814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC(=NO2)C3=C(C=C(C=C3)OC)OC)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC(=NO2)C3=C(C=C(C=C3)OC)OC)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3S/c1-26-18(11-14-7-5-4-6-8-14)23-24-21(26)30-13-19-22-20(25-29-19)16-10-9-15(27-2)12-17(16)28-3/h4-10,12H,11,13H2,1-3H3