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

Systemtic Name: 3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoic acid Openeye Name: 3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoic acid CAS Name: 3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoic acid IUPAC Name: 3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoic acid Traditional Name: 3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionic acid Formula: C9H9N3O2S2 MolecularWeight: 255.31666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)O

Isomeric SMILES

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)O

InChI

InChI=1S/C9H9N3O2S2/c13-7(14)3-4-12-8(10-11-9(12)15)6-2-1-5-16-6/h1-2,5H,3-4H2,(H,11,15)(H,13,14)