S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] ethanethioate; ethanedioic acid

Systemtic Name: S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] ethanethioate; ethanedioic acid Openeye Name: S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] ethanethioate; oxalic acid CAS Name: ethanethioic acid S-[1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethyl] ester; oxalic acid IUPAC Name: S-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] ethanethioate; oxalic acid Traditional Name: ethanethioic acid S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] ester; oxalic acid Formula: C15H14Cl2N2O5S MolecularWeight: 405.25306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)SC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H12Cl2N2OS.C2H2O4/c1-9(18)19-13(7-17-5-4-16-8-17)11-3-2-10(14)6-12(11)15;3-1(4)2(5)6/h2-6,8,13H,7H2,1H3;(H,3,4)(H,5,6)