4-methylsulfanyl-2-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoic acid Openeye Name: 4-methylsulfanyl-2-[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]butanoic acid CAS Name: 4-(methylthio)-2-[3-(2-quinolinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoic acid Traditional Name: 4-(methylthio)-2-[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]butyric acid Formula: C16H16N4O2S2 MolecularWeight: 360.45384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N1C(=NNC1=S)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CSCCC(C(=O)O)N1C(=NNC1=S)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H16N4O2S2/c1-24-9-8-13(15(21)22)20-14(18-19-16(20)23)12-7-6-10-4-2-3-5-11(10)17-12/h2-7,13H,8-9H2,1H3,(H,19,23)(H,21,22)