3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate

Systemtic Name: 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate Openeye Name: 3-(2-thioxo-1,3-dihydroimidazol-4-yl)propanoate CAS Name: 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate IUPAC Name: 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate Traditional Name: 3-(2-thioxo-4-imidazolin-4-yl)propionate Formula: C6H7N2O2S- MolecularWeight: 171.19698

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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)/p-1