S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] 3-chloranylbenzenecarbothioate

Systemtic Name: S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] 3-chloranylbenzenecarbothioate Openeye Name: S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] 3-chlorobenzenecarbothioate CAS Name: 3-chlorobenzenecarbothioic acid S-[1-(2,4-dichlorophenyl)-2-(1-imidazolyl)ethyl] ester IUPAC Name: S-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 3-chlorobenzenecarbothioate Traditional Name: 3-chlorothiobenzoic acid S-[1-(2,4-dichlorophenyl)-2-imidazol-1-yl-ethyl] ester Formula: C18H13Cl3N2OS MolecularWeight: 411.73262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13Cl3N2OS/c19-13-3-1-2-12(8-13)18(24)25-17(10-23-7-6-22-11-23)15-5-4-14(20)9-16(15)21/h1-9,11,17H,10H2