1-(2-cyanoethyl)thiourea; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 1-(2-cyanoethyl)thiourea; tris(fluoranyl)methanesulfonic acid Openeye Name: 2-cyanoethylthiourea; trifluoromethanesulfonic acid CAS Name: 2-cyanoethylthiourea; trifluoromethanesulfonic acid IUPAC Name: 2-cyanoethylthiourea; trifluoromethanesulfonic acid Traditional Name: 2-cyanoethylthiourea; triflic acid Formula: C5H8F3N3O3S2 MolecularWeight: 279.26053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H7N3S.CHF3O3S/c5-2-1-3-7-4(6)8;2-1(3,4)8(5,6)7/h1,3H2,(H3,6,7,8);(H,5,6,7)