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

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-phenethyl-pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-phenethyl-pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-phenethyl-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-phenethylpyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-phenethyl-nicotinamide Formula: C21H19BrN2OS MolecularWeight: 427.35736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2OS/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/h1-10,12,14H,11,13,15H2,(H,23,25)