1-(2-cyanoethyl)thiourea; methanesulfonic acid

Systemtic Name: 1-(2-cyanoethyl)thiourea; methanesulfonic acid Openeye Name: 2-cyanoethylthiourea; methanesulfonic acid CAS Name: 2-cyanoethylthiourea; methanesulfonic acid IUPAC Name: 2-cyanoethylthiourea; methanesulfonic acid Traditional Name: 2-cyanoethylthiourea; mesylic acid Formula: C5H11N3O3S2 MolecularWeight: 225.28914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C(CNC(=S)N)C#N

Isomeric SMILES

CS(=O)(=O)O.C(CNC(=S)N)C#N

InChI

InChI=1S/C4H7N3S.CH4O3S/c5-2-1-3-7-4(6)8;1-5(2,3)4/h1,3H2,(H3,6,7,8);1H3,(H,2,3,4)