(4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 2,5-bis(chloranyl)benzoate

Systemtic Name: (4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 2,5-bis(chloranyl)benzoate Openeye Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 2,5-dichlorobenzoate CAS Name: 2,5-dichlorobenzoic acid [4-bromo-2-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 2,5-dichlorobenzoate Traditional Name: 2,5-dichlorobenzoic acid [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C18H14BrCl2NO2S MolecularWeight: 459.18426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

C1CCN(C1)C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C18H14BrCl2NO2S/c19-11-3-6-16(14(9-11)17(25)22-7-1-2-8-22)24-18(23)13-10-12(20)4-5-15(13)21/h3-6,9-10H,1-2,7-8H2