[4-(methylcarbamoyl)phenyl] 2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: [4-(methylcarbamoyl)phenyl] 2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [4-(methylcarbamoyl)phenyl] 2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3-bromophenyl)methylthio]-3-pyridinecarboxylic acid [4-(methylcarbamoyl)phenyl] ester IUPAC Name: [4-(methylcarbamoyl)phenyl] 2-[(3-bromophenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3-bromobenzyl)thio]nicotinic acid [4-(methylcarbamoyl)phenyl] ester Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)OC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)OC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H17BrN2O3S/c1-23-19(25)15-7-9-17(10-8-15)27-21(26)18-6-3-11-24-20(18)28-13-14-4-2-5-16(22)12-14/h2-12H,13H2,1H3,(H,23,25)