2-azanyl-3-[(5-nitro-2-sulfanylidene-1H-pyridin-3-yl)sulfanyl]propanoic acid hydrochloride

Systemtic Name: 2-azanyl-3-[(5-nitro-2-sulfanylidene-1H-pyridin-3-yl)sulfanyl]propanoic acid hydrochloride Openeye Name: 2-amino-3-[(5-nitro-2-thioxo-1H-pyridin-3-yl)sulfanyl]propanoic acid hydrochloride CAS Name: 2-amino-3-[(5-nitro-2-sulfanylidene-1H-pyridin-3-yl)thio]propanoic acid hydrochloride IUPAC Name: 2-amino-3-[(5-nitro-2-sulfanylidene-1H-pyridin-3-yl)sulfanyl]propanoic acid hydrochloride Traditional Name: 2-amino-3-[(5-nitro-2-thioxo-1H-pyridin-3-yl)thio]propionic acid hydrochloride Formula: C8H10ClN3O4S2 MolecularWeight: 311.7657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=S)NC=C1[N+](=O)[O-])SCC(C(=O)O)N.Cl

Isomeric SMILES

C1=C(C(=S)NC=C1[N+](=O)[O-])SCC(C(=O)O)N.Cl

InChI

InChI=1S/C8H9N3O4S2.ClH/c9-5(8(12)13)3-17-6-1-4(11(14)15)2-10-7(6)16;/h1-2,5H,3,9H2,(H,10,16)(H,12,13);1H