2-(2-azanylidene-1,3-thiazolidin-3-yl)-5-chloranyl-aniline; ethanesulfonic acid

Systemtic Name: 2-(2-azanylidene-1,3-thiazolidin-3-yl)-5-chloranyl-aniline; ethanesulfonic acid Openeye Name: 5-chloro-2-(2-iminothiazolidin-3-yl)aniline; ethanesulfonic acid CAS Name: 5-chloro-2-(2-imino-3-thiazolidinyl)aniline; ethanesulfonic acid IUPAC Name: 5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline; ethanesulfonic acid Traditional Name: [5-chloro-2-(2-iminothiazolidin-3-yl)phenyl]amine; esylic acid Formula: C13H22ClN3O6S3 MolecularWeight: 447.97828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CCS(=O)(=O)O.C1CSC(=N)N1C2=C(C=C(C=C2)Cl)N

Isomeric SMILES

CCS(=O)(=O)O.CCS(=O)(=O)O.C1CSC(=N)N1C2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C9H10ClN3S.2C2H6O3S/c10-6-1-2-8(7(11)5-6)13-3-4-14-9(13)12;2*1-2-6(3,4)5/h1-2,5,12H,3-4,11H2;2*2H2,1H3,(H,3,4,5)