3-[3-(3-oxidanylidenebutan-2-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-(3-oxidanylidenebutan-2-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-(1-methyl-2-oxo-propyl)sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(3-oxobutan-2-ylthio)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-(3-oxobutan-2-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(2-keto-1-methyl-propyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C13H16N4O2S2 MolecularWeight: 324.42174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=C(N1CCC(=O)N)C2=CC=CS2

Isomeric SMILES

CC(C(=O)C)SC1=NN=C(N1CCC(=O)N)C2=CC=CS2

InChI

InChI=1S/C13H16N4O2S2/c1-8(18)9(2)21-13-16-15-12(10-4-3-7-20-10)17(13)6-5-11(14)19/h3-4,7,9H,5-6H2,1-2H3,(H2,14,19)