3-(4-ethoxyphenyl)-5-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-ethoxyphenyl)-5-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Openeye Name: 3-(4-ethoxyphenyl)-5-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole CAS Name: 3-(4-ethoxyphenyl)-5-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-ethoxyphenyl)-5-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole Traditional Name: 3-p-phenetyl-5-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,4-oxadiazole Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)OCC)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)OCC)C4=CC=NC=C4

InChI

InChI=1S/C21H22N6O2S/c1-3-13-27-20(16-9-11-22-12-10-16)24-25-21(27)30-14-18-23-19(26-29-18)15-5-7-17(8-6-15)28-4-2/h5-12H,3-4,13-14H2,1-2H3