2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranylpyridin-3-yl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloranylpyridin-3-yl)ethanamide Openeye Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-3-pyridyl)acetamide CAS Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-3-pyridinyl)acetamide IUPAC Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloropyridin-3-yl)acetamide Traditional Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(2-chloro-3-pyridyl)acetamide Formula: C13H17ClN6OS MolecularWeight: 340.83168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC(=O)NC2=C(N=CC=C2)Cl

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC(=O)NC2=C(N=CC=C2)Cl

InChI

InChI=1S/C13H17ClN6OS/c1-13(2,3)11-18-19-12(20(11)15)22-7-9(21)17-8-5-4-6-16-10(8)14/h4-6H,7,15H2,1-3H3,(H,17,21)