5-[2,6-bis(chloranyl)phenyl]-1-methyl-2-methylsulfanyl-imidazolidine; (E)-but-2-enedioic acid

Systemtic Name: 5-[2,6-bis(chloranyl)phenyl]-1-methyl-2-methylsulfanyl-imidazolidine; (E)-but-2-enedioic acid Openeye Name: 5-(2,6-dichlorophenyl)-1-methyl-2-methylsulfanyl-imidazolidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-(2,6-dichlorophenyl)-1-methyl-2-(methylthio)imidazolidine IUPAC Name: (E)-but-2-enedioic acid; 5-(2,6-dichlorophenyl)-1-methyl-2-methylsulfanylimidazolidine Traditional Name: 5-(2,6-dichlorophenyl)-1-methyl-2-(methylthio)imidazolidine; fumaric acid Formula: C15H18Cl2N2O4S MolecularWeight: 393.28542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CNC1SC)C2=C(C=CC=C2Cl)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C(CNC1SC)C2=C(C=CC=C2Cl)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H14Cl2N2S.C4H4O4/c1-15-9(6-14-11(15)16-2)10-7(12)4-3-5-8(10)13;5-3(6)1-2-4(7)8/h3-5,9,11,14H,6H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+