N-(3-methylsulfanylphenyl)-2-pentylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-pentylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-2-pentylsulfanyl-pyridine-3-carboxamide CAS Name: N-[3-(methylthio)phenyl]-2-(pentylthio)-3-pyridinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-pentylsulfanylpyridine-3-carboxamide Traditional Name: 2-(amylthio)-N-[3-(methylthio)phenyl]nicotinamide Formula: C18H22N2OS2 MolecularWeight: 346.51008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C18H22N2OS2/c1-3-4-5-12-23-18-16(10-7-11-19-18)17(21)20-14-8-6-9-15(13-14)22-2/h6-11,13H,3-5,12H2,1-2H3,(H,20,21)