2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid

Systemtic Name: 2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid Openeye Name: 2-(2-thioxo-1,3-dihydroimidazol-4-yl)propanoic acid CAS Name: 2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid IUPAC Name: 2-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid Traditional Name: 2-(2-thioxo-4-imidazolin-4-yl)propionic acid Formula: C6H8N2O2S MolecularWeight: 172.20492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC(=S)N1)C(=O)O

Isomeric SMILES

CC(C1=CNC(=S)N1)C(=O)O

InChI

InChI=1S/C6H8N2O2S/c1-3(5(9)10)4-2-7-6(11)8-4/h2-3H,1H3,(H,9,10)(H2,7,8,11)