(4-bromophenyl) 5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxylate

Systemtic Name: (4-bromophenyl) 5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxylate Openeye Name: (4-bromophenyl) 2-benzylsulfanyl-5-chloro-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(phenylmethylthio)-4-pyrimidinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 2-benzylsulfanyl-5-chloropyrimidine-4-carboxylate Traditional Name: 2-(benzylthio)-5-chloro-pyrimidine-4-carboxylic acid (4-bromophenyl) ester Formula: C18H12BrClN2O2S MolecularWeight: 435.72208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)OC3=CC=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)OC3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C18H12BrClN2O2S/c19-13-6-8-14(9-7-13)24-17(23)16-15(20)10-21-18(22-16)25-11-12-4-2-1-3-5-12/h1-10H,11H2