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

Systemtic Name: S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] heptanethioate Openeye Name: S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] heptanethioate CAS Name: heptanethioic acid S-[1-(4-chlorophenyl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] heptanethioate Traditional Name: heptanethioic acid S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] ester Formula: C18H23ClN2OS MolecularWeight: 350.90602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2OS/c1-2-3-4-5-6-18(22)23-17(13-21-12-11-20-14-21)15-7-9-16(19)10-8-15/h7-12,14,17H,2-6,13H2,1H3