1-ethyl-1-(4-methylphenyl)sulfanyl-guanidine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1-ethyl-1-(4-methylphenyl)sulfanyl-guanidine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-ethyl-1-(p-tolylsulfanyl)guanidine citrate CAS Name: 1-ethyl-1-[(4-methylphenyl)thio]guanidine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 1-ethyl-1-(4-methylphenyl)sulfanylguanidine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 1-ethyl-1-(p-tolylthio)guanidine citrate Formula: C16H20N3O7S-3 MolecularWeight: 398.4109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=N)N)SC1=CC=C(C=C1)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(C(=N)N)SC1=CC=C(C=C1)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C10H15N3S.C6H8O7/c1-3-13(10(11)12)14-9-6-4-8(2)5-7-9;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-7H,3H2,1-2H3,(H3,11,12);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3