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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)C)C)C3=CC=NC=C3

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)C)C)C3=CC=NC=C3

InChI

InChI=1S/C21H25N5OS/c1-4-5-12-26-20(17-8-10-22-11-9-17)24-25-21(26)28-14-19(27)23-18-7-6-15(2)13-16(18)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,27)