S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] 2-phenylethanethioate

Systemtic Name: S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] 2-phenylethanethioate Openeye Name: S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: S-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] ester Formula: C19H16Cl2N2OS MolecularWeight: 391.31414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16Cl2N2OS/c20-15-6-7-16(17(21)11-15)18(12-23-9-8-22-13-23)25-19(24)10-14-4-2-1-3-5-14/h1-9,11,13,18H,10,12H2