5-bromanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[2-(p-tolylmethylsulfanyl)ethyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[2-[(4-methylphenyl)methylthio]ethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[2-[(4-methylbenzyl)thio]ethyl]nicotinamide Formula: C16H17BrN2OS MolecularWeight: 365.28798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H17BrN2OS/c1-12-2-4-13(5-3-12)11-21-7-6-19-16(20)14-8-15(17)10-18-9-14/h2-5,8-10H,6-7,11H2,1H3,(H,19,20)