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

Systemtic Name: 2-azanyl-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate; triethylazanium Openeye Name: 2-amino-3-(2-thioxo-1,3-dihydroimidazol-4-yl)propanoate; triethylammonium CAS Name: 2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate; triethylammonium IUPAC Name: 2-amino-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate; triethylazanium Traditional Name: 2-amino-3-(2-thioxo-4-imidazolin-4-yl)propionate; triethylammonium Formula: C12H24N4O2S MolecularWeight: 288.40956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9N3O2S.C6H15N/c7-4(5(10)11)1-3-2-8-6(12)9-3;1-4-7(5-2)6-3/h2,4H,1,7H2,(H,10,11)(H2,8,9,12);4-6H2,1-3H3