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

Systemtic Name: S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] octanethioate Openeye Name: S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] octanethioate CAS Name: octanethioic acid S-[1-(4-chlorophenyl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] octanethioate Traditional Name: octanethioic acid S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] ester Formula: C19H25ClN2OS MolecularWeight: 364.9326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN2OS/c1-2-3-4-5-6-7-19(23)24-18(14-22-13-12-21-15-22)16-8-10-17(20)11-9-16/h8-13,15,18H,2-7,14H2,1H3