3-methyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)butanoic acid

Systemtic Name: 3-methyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)butanoic acid Openeye Name: 3-methyl-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]butanoic acid CAS Name: 3-methyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)butanoic acid IUPAC Name: 3-methyl-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)butanoic acid Traditional Name: 3-methyl-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]butyric acid Formula: C11H13N3O2S2 MolecularWeight: 283.36982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1C(=NNC1=S)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)O)N1C(=NNC1=S)C2=CC=CS2

InChI

InChI=1S/C11H13N3O2S2/c1-6(2)8(10(15)16)14-9(12-13-11(14)17)7-4-3-5-18-7/h3-6,8H,1-2H3,(H,13,17)(H,15,16)