2-[(3-bromophenyl)methylsulfanyl]-N-(3,5-dimethoxyphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(3,5-dimethoxyphenyl)pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(3,5-dimethoxyphenyl)pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-(3,5-dimethoxyphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(3,5-dimethoxyphenyl)pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-(3,5-dimethoxyphenyl)nicotinamide Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C21H19BrN2O3S/c1-26-17-10-16(11-18(12-17)27-2)24-20(25)19-7-4-8-23-21(19)28-13-14-5-3-6-15(22)9-14/h3-12H,13H2,1-2H3,(H,24,25)