5-bromanyl-N-[2-(phenylmethylsulfanyl)ethyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[2-(phenylmethylsulfanyl)ethyl]pyridine-3-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-5-bromo-pyridine-3-carboxamide CAS Name: 5-bromo-N-[2-(phenylmethylthio)ethyl]-3-pyridinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-5-bromopyridine-3-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-5-bromo-nicotinamide Formula: C15H15BrN2OS MolecularWeight: 351.2614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C15H15BrN2OS/c16-14-8-13(9-17-10-14)15(19)18-6-7-20-11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H,18,19)