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

Systemtic Name: N-(2-methylphenyl)-2-pentylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(o-tolyl)-2-pentylsulfanyl-pyridine-3-carboxamide CAS Name: N-(2-methylphenyl)-2-(pentylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-methylphenyl)-2-pentylsulfanylpyridine-3-carboxamide Traditional Name: 2-(amylthio)-N-(o-tolyl)nicotinamide Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C18H22N2OS/c1-3-4-7-13-22-18-15(10-8-12-19-18)17(21)20-16-11-6-5-9-14(16)2/h5-6,8-12H,3-4,7,13H2,1-2H3,(H,20,21)