2-(3-butylsulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: 2-(3-butylsulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl)ethanamide Openeye Name: 2-[3-butylsulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(butylthio)-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-(3-butylsulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl)acetamide Traditional Name: 2-[3-(butylthio)-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide Formula: C12H16N4OS2 MolecularWeight: 296.41164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1CC(=O)N)C2=CC=CS2

Isomeric SMILES

CCCCSC1=NN=C(N1CC(=O)N)C2=CC=CS2

InChI

InChI=1S/C12H16N4OS2/c1-2-3-6-19-12-15-14-11(9-5-4-7-18-9)16(12)8-10(13)17/h4-5,7H,2-3,6,8H2,1H3,(H2,13,17)