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

Systemtic Name: S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] butanethioate Openeye Name: S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] butanethioate CAS Name: butanethioic acid S-[1-(4-chlorophenyl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] butanethioate Traditional Name: butanethioic acid S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] ester Formula: C15H17ClN2OS MolecularWeight: 308.82628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2OS/c1-2-3-15(19)20-14(10-18-9-8-17-11-18)12-4-6-13(16)7-5-12/h4-9,11,14H,2-3,10H2,1H3