(2R)-4-methylsulfanyl-2-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoate

Systemtic Name: (2R)-4-methylsulfanyl-2-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoate Openeye Name: (2R)-4-methylsulfanyl-2-[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]butanoate CAS Name: (2R)-4-(methylthio)-2-[3-(2-quinolinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]butanoate IUPAC Name: (2R)-4-methylsulfanyl-2-(3-quinolin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)butanoate Traditional Name: (2R)-4-(methylthio)-2-[3-(2-quinolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]butyrate Formula: C16H15N4O2S2- MolecularWeight: 359.4459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSCC[C@H](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)/p-1/t13-/m1/s1