2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-mesityl-acetamide Formula: C17H25N5OS MolecularWeight: 347.4783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC(=O)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC(=O)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C17H25N5OS/c1-5-6-7-14-20-21-17(22(14)18)24-10-15(23)19-16-12(3)8-11(2)9-13(16)4/h8-9H,5-7,10,18H2,1-4H3,(H,19,23)