2-pentylsulfanyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-pentylsulfanyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-pentylsulfanyl-N-(2-pyridylmethyl)pyridine-3-carboxamide CAS Name: 2-(pentylthio)-N-(2-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-pentylsulfanyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-(amylthio)-N-(2-pyridylmethyl)nicotinamide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NCC2=CC=CC=N2

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NCC2=CC=CC=N2

InChI

InChI=1S/C17H21N3OS/c1-2-3-6-12-22-17-15(9-7-11-19-17)16(21)20-13-14-8-4-5-10-18-14/h4-5,7-11H,2-3,6,12-13H2,1H3,(H,20,21)