(2S)-2-azaniumyl-3-thiocyanato-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-thiocyanato-propanoate Openeye Name: (2S)-2-azaniumyl-3-thiocyanato-propanoate CAS Name: (2S)-2-ammonio-3-thiocyanatopropanoate IUPAC Name: (2S)-2-azaniumyl-3-thiocyanatopropanoate Traditional Name: (2S)-2-ammonio-3-thiocyanato-propionate Formula: C4H6N2O2S MolecularWeight: 146.16764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)[O-])[NH3+])SC#N

Isomeric SMILES

C([C@H](C(=O)[O-])[NH3+])SC#N

InChI

InChI=1S/C4H6N2O2S/c5-2-9-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m1/s1