2-[3-[(2-chlorophenyl)methyl]-2-sulfanylidene-1H-imidazol-4-yl]propanedioic acid

Systemtic Name: 2-[3-[(2-chlorophenyl)methyl]-2-sulfanylidene-1H-imidazol-4-yl]propanedioic acid Openeye Name: 2-[3-[(2-chlorophenyl)methyl]-2-thioxo-1H-imidazol-4-yl]propanedioic acid CAS Name: 2-[3-[(2-chlorophenyl)methyl]-2-sulfanylidene-1H-imidazol-4-yl]propanedioic acid IUPAC Name: 2-[3-[(2-chlorophenyl)methyl]-2-sulfanylidene-1H-imidazol-4-yl]propanedioic acid Traditional Name: 2-[3-(2-chlorobenzyl)-2-thioxo-4-imidazolin-4-yl]malonic acid Formula: C13H11ClN2O4S MolecularWeight: 326.75544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=CNC2=S)C(C(=O)O)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=CNC2=S)C(C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C13H11ClN2O4S/c14-8-4-2-1-3-7(8)6-16-9(5-15-13(16)21)10(11(17)18)12(19)20/h1-5,10H,6H2,(H,15,21)(H,17,18)(H,19,20)