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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-(2,3-dimethylcyclohexyl)-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2,3-dimethylcyclohexyl)pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-(2,3-dimethylcyclohexyl)nicotinamide Formula: C21H25BrN2OS MolecularWeight: 433.405

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H25BrN2OS/c1-14-6-3-10-19(15(14)2)24-20(25)18-9-5-11-23-21(18)26-13-16-7-4-8-17(22)12-16/h4-5,7-9,11-12,14-15,19H,3,6,10,13H2,1-2H3,(H,24,25)