S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] 2-(4-bromophenyl)ethanethioate

Systemtic Name: S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] 2-(4-bromophenyl)ethanethioate Openeye Name: S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] 2-(4-bromophenyl)ethanethioate CAS Name: 2-(4-bromophenyl)ethanethioic acid S-[1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: S-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-bromophenyl)ethanethioate Traditional Name: 2-(4-bromophenyl)ethanethioic acid S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] ester Formula: C19H15BrCl2N2OS MolecularWeight: 470.2102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)SC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Br

Isomeric SMILES

C1=CC(=CC=C1CC(=O)SC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Br

InChI

InChI=1S/C19H15BrCl2N2OS/c20-14-3-1-13(2-4-14)9-19(25)26-18(11-24-8-7-23-12-24)16-6-5-15(21)10-17(16)22/h1-8,10,12,18H,9,11H2