S-[2-imidazol-1-yl-1-[2,4,6-tris(chloranyl)phenyl]ethyl] ethanethioate

Systemtic Name: S-[2-imidazol-1-yl-1-[2,4,6-tris(chloranyl)phenyl]ethyl] ethanethioate Openeye Name: S-[2-imidazol-1-yl-1-(2,4,6-trichlorophenyl)ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-(1-imidazolyl)-1-(2,4,6-trichlorophenyl)ethyl] ester IUPAC Name: S-[2-imidazol-1-yl-1-(2,4,6-trichlorophenyl)ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-imidazol-1-yl-1-(2,4,6-trichlorophenyl)ethyl] ester Formula: C13H11Cl3N2OS MolecularWeight: 349.66324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CN1C=CN=C1)C2=C(C=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CC(=O)SC(CN1C=CN=C1)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C13H11Cl3N2OS/c1-8(19)20-12(6-18-3-2-17-7-18)13-10(15)4-9(14)5-11(13)16/h2-5,7,12H,6H2,1H3