(3-bromophenyl) 5-chloranyl-2-propylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (3-bromophenyl) 5-chloranyl-2-propylsulfonyl-pyrimidine-4-carboxylate Openeye Name: (3-bromophenyl) 5-chloro-2-propylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-propylsulfonyl-4-pyrimidinecarboxylic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 5-chloro-2-propylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-propylsulfonyl-pyrimidine-4-carboxylic acid (3-bromophenyl) ester Formula: C14H12BrClN2O4S MolecularWeight: 419.67808

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC(=CC=C2)Br)Cl

Isomeric SMILES

CCCS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC(=CC=C2)Br)Cl

InChI

InChI=1S/C14H12BrClN2O4S/c1-2-6-23(20,21)14-17-8-11(16)12(18-14)13(19)22-10-5-3-4-9(15)7-10/h3-5,7-8H,2,6H2,1H3