S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] hexanethioate

Systemtic Name: S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] hexanethioate Openeye Name: S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] hexanethioate CAS Name: hexanethioic acid S-[1-(4-chlorophenyl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] hexanethioate Traditional Name: hexanethioic acid S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] ester Formula: C17H21ClN2OS MolecularWeight: 336.87944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2OS/c1-2-3-4-5-17(21)22-16(12-20-11-10-19-13-20)14-6-8-15(18)9-7-14/h6-11,13,16H,2-5,12H2,1H3