2-azanyl-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate; tris(2-hydroxyethyl)azanium

Systemtic Name: 2-azanyl-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate; tris(2-hydroxyethyl)azanium Openeye Name: 2-amino-3-(2-thioxo-1,3-dihydroimidazol-4-yl)propanoate; tris(2-hydroxyethyl)ammonium CAS Name: 2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate; tris(2-hydroxyethyl)ammonium IUPAC Name: 2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate; tris(2-hydroxyethyl)azanium Traditional Name: 2-amino-3-(2-thioxo-4-imidazolin-4-yl)propionate; tris(2-hydroxyethyl)ammonium Formula: C12H24N4O5S MolecularWeight: 336.40776

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC(=S)N1)CC(C(=O)[O-])N.C(CO)[NH+](CCO)CCO

Isomeric SMILES

C1=C(NC(=S)N1)CC(C(=O)[O-])N.C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C6H9N3O2S.C6H15NO3/c7-4(5(10)11)1-3-2-8-6(12)9-3;8-4-1-7(2-5-9)3-6-10/h2,4H,1,7H2,(H,10,11)(H2,8,9,12);8-10H,1-6H2