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

Systemtic Name: S-[2-imidazol-1-yl-1-[2,4,6-tris(chloranyl)phenyl]ethyl] pentanethioate Openeye Name: S-[2-imidazol-1-yl-1-(2,4,6-trichlorophenyl)ethyl] pentanethioate CAS Name: pentanethioic 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] pentanethioate Traditional Name: pentanethioic acid S-[2-imidazol-1-yl-1-(2,4,6-trichlorophenyl)ethyl] ester Formula: C16H17Cl3N2OS MolecularWeight: 391.74298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17Cl3N2OS/c1-2-3-4-15(22)23-14(9-21-6-5-20-10-21)16-12(18)7-11(17)8-13(16)19/h5-8,10,14H,2-4,9H2,1H3