S-[1-[2,4-bis(bromanyl)phenyl]-2-imidazol-1-yl-ethyl] hexanethioate

Systemtic Name: S-[1-[2,4-bis(bromanyl)phenyl]-2-imidazol-1-yl-ethyl] hexanethioate Openeye Name: S-[1-(2,4-dibromophenyl)-2-imidazol-1-yl-ethyl] hexanethioate CAS Name: hexanethioic acid S-[1-(2,4-dibromophenyl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: S-[1-(2,4-dibromophenyl)-2-imidazol-1-ylethyl] hexanethioate Traditional Name: hexanethioic acid S-[1-(2,4-dibromophenyl)-2-imidazol-1-yl-ethyl] ester Formula: C17H20Br2N2OS MolecularWeight: 460.2265

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)SC(CN1C=CN=C1)C2=C(C=C(C=C2)Br)Br

Isomeric SMILES

CCCCCC(=O)SC(CN1C=CN=C1)C2=C(C=C(C=C2)Br)Br

InChI

InChI=1S/C17H20Br2N2OS/c1-2-3-4-5-17(22)23-16(11-21-9-8-20-12-21)14-7-6-13(18)10-15(14)19/h6-10,12,16H,2-5,11H2,1H3