S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] (E)-3-phenylprop-2-enethioate

Systemtic Name: S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] (E)-3-phenylprop-2-enethioate Openeye Name: S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] (E)-3-phenylprop-2-enethioate CAS Name: (E)-3-phenyl-2-propenethioic acid S-[1-(4-chlorophenyl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] (E)-3-phenylprop-2-enethioate Traditional Name: (E)-3-phenylprop-2-enethioic acid S-[1-(4-chlorophenyl)-2-imidazol-1-yl-ethyl] ester Formula: C20H17ClN2OS MolecularWeight: 368.87978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)SC(CN2C=CN=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)SC(CN2C=CN=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN2OS/c21-18-9-7-17(8-10-18)19(14-23-13-12-22-15-23)25-20(24)11-6-16-4-2-1-3-5-16/h1-13,15,19H,14H2/b11-6+