2-[(3-bromophenyl)methylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-[2-(1-cyclohexenyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-[2-(cyclohexen-1-yl)ethyl]nicotinamide Formula: C21H23BrN2OS MolecularWeight: 431.38912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H23BrN2OS/c22-18-9-4-8-17(14-18)15-26-21-19(10-5-12-24-21)20(25)23-13-11-16-6-2-1-3-7-16/h4-6,8-10,12,14H,1-3,7,11,13,15H2,(H,23,25)