N-(4-octylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(4-octylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(4-octylphenyl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(4-octylphenyl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(4-octylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(4-octylphenyl)-2-(4-pyridylmethylthio)nicotinamide Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3

InChI

InChI=1S/C26H31N3OS/c1-2-3-4-5-6-7-9-21-11-13-23(14-12-21)29-25(30)24-10-8-17-28-26(24)31-20-22-15-18-27-19-16-22/h8,10-19H,2-7,9,20H2,1H3,(H,29,30)