2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenoxyethyl)pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenoxyethyl)pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenoxyethyl)pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-(2-phenoxyethyl)-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenoxyethyl)pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-(2-phenoxyethyl)nicotinamide Formula: C21H19BrN2O2S MolecularWeight: 443.35676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O2S/c22-17-7-4-6-16(14-17)15-27-21-19(10-5-11-24-21)20(25)23-12-13-26-18-8-2-1-3-9-18/h1-11,14H,12-13,15H2,(H,23,25)