3-[4-[2-(2-dimethylaminoethylsulfanyl)ethyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanoic acid

Systemtic Name: 3-[4-[2-(2-dimethylaminoethylsulfanyl)ethyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanoic acid Openeye Name: 3-[4-[2-(2-dimethylaminoethylsulfanyl)ethyl]-5-thioxo-1H-1,2,4-triazol-3-yl]propanoic acid CAS Name: 3-[4-[2-(2-dimethylaminoethylthio)ethyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanoic acid IUPAC Name: 3-[4-[2-(2-dimethylaminoethylsulfanyl)ethyl]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]propanoic acid Traditional Name: 3-[4-[2-(2-dimethylaminoethylthio)ethyl]-5-thioxo-1H-1,2,4-triazol-3-yl]propionic acid Formula: C11H20N4O2S2 MolecularWeight: 304.4321

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSCCN1C(=NNC1=S)CCC(=O)O

Isomeric SMILES

CN(C)CCSCCN1C(=NNC1=S)CCC(=O)O

InChI

InChI=1S/C11H20N4O2S2/c1-14(2)5-7-19-8-6-15-9(3-4-10(16)17)12-13-11(15)18/h3-8H2,1-2H3,(H,13,18)(H,16,17)