2-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-imidazole-5-carboxylic acid

Systemtic Name: 2-[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-imidazole-5-carboxylic acid Openeye Name: 2-[2-(2,4-dichlorophenyl)-2-oxo-ethyl]sulfanyl-1H-imidazole-5-carboxylic acid CAS Name: 2-[[2-(2,4-dichlorophenyl)-2-oxoethyl]thio]-1H-imidazole-5-carboxylic acid IUPAC Name: 2-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl-1H-imidazole-5-carboxylic acid Traditional Name: 2-[[2-(2,4-dichlorophenyl)-2-keto-ethyl]thio]-1H-imidazole-5-carboxylic acid Formula: C12H8Cl2N2O3S MolecularWeight: 331.17452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C(=O)CSC2=NC=C(N2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)CSC2=NC=C(N2)C(=O)O

InChI

InChI=1S/C12H8Cl2N2O3S/c13-6-1-2-7(8(14)3-6)10(17)5-20-12-15-4-9(16-12)11(18)19/h1-4H,5H2,(H,15,16)(H,18,19)