2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-ethanamide Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethyl-acetamide CAS Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]-N,N-diethylacetamide IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-diethylacetamide Traditional Name: N,N-diethyl-2-[[4-p-phenetyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OCC)C3=CC=NC=C3

Isomeric SMILES

CCN(CC)C(=O)CSC1=NN=C(N1C2=CC=C(C=C2)OCC)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5O2S/c1-4-25(5-2)19(27)15-29-21-24-23-20(16-11-13-22-14-12-16)26(21)17-7-9-18(10-8-17)28-6-3/h7-14H,4-6,15H2,1-3H3