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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2-methylcyclohexyl)pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2-methylcyclohexyl)pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-(2-methylcyclohexyl)-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2-methylcyclohexyl)pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-(2-methylcyclohexyl)nicotinamide Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CC1CCCCC1NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H23BrN2OS/c1-14-6-2-3-10-18(14)23-19(24)17-9-5-11-22-20(17)25-13-15-7-4-8-16(21)12-15/h4-5,7-9,11-12,14,18H,2-3,6,10,13H2,1H3,(H,23,24)