2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-ethanamide

Systemtic Name: 2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-ethanamide Openeye Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-acetamide CAS Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-ethylacetamide IUPAC Name: 2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-ethylacetamide Traditional Name: 2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-ethyl-acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)NCC)C3=CN=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)NCC)C3=CN=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-4-15-9-7-10-16(5-2)19(15)26-20(17-11-8-12-22-13-17)24-25-21(26)28-14-18(27)23-6-3/h7-13H,4-6,14H2,1-3H3,(H,23,27)