(1-imidazol-1-yl-3-phenylsulfanyl-propan-2-yl) 2,4-bis(chloranyl)benzoate

Systemtic Name: (1-imidazol-1-yl-3-phenylsulfanyl-propan-2-yl) 2,4-bis(chloranyl)benzoate Openeye Name: [1-(imidazol-1-ylmethyl)-2-phenylsulfanyl-ethyl] 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid [1-(1-imidazolyl)-3-(phenylthio)propan-2-yl] ester IUPAC Name: (1-imidazol-1-yl-3-phenylsulfanylpropan-2-yl) 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [1-(imidazol-1-ylmethyl)-2-(phenylthio)ethyl] ester Formula: C19H16Cl2N2O2S MolecularWeight: 407.31354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16Cl2N2O2S/c20-14-6-7-17(18(21)10-14)19(24)25-15(11-23-9-8-22-13-23)12-26-16-4-2-1-3-5-16/h1-10,13,15H,11-12H2