2-[(3-bromophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(p-tolylmethyl)pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-[(4-methylphenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-(4-methylbenzyl)nicotinamide Formula: C21H19BrN2OS MolecularWeight: 427.35736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H19BrN2OS/c1-15-7-9-16(10-8-15)13-24-20(25)19-6-3-11-23-21(19)26-14-17-4-2-5-18(22)12-17/h2-12H,13-14H2,1H3,(H,24,25)