(4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 3-chloranylbenzoate

Systemtic Name: (4-bromanyl-2-pyrrolidin-1-ylcarbothioyl-phenyl) 3-chloranylbenzoate Openeye Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [4-bromo-2-[1-pyrrolidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [4-bromo-2-(pyrrolidine-1-carbothioyl)phenyl] ester Formula: C18H15BrClNO2S MolecularWeight: 424.7392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrClNO2S/c19-13-6-7-16(15(11-13)17(24)21-8-1-2-9-21)23-18(22)12-4-3-5-14(20)10-12/h3-7,10-11H,1-2,8-9H2