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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=S)N1)CCC(=O)O

Isomeric SMILES

C1=C(NC(=S)N1)CCC(=O)O

InChI

InChI=1S/C6H8N2O2S/c9-5(10)2-1-4-3-7-6(11)8-4/h3H,1-2H2,(H,9,10)(H2,7,8,11)