N-(4-hexadecylsulfanylphenyl)pyridine-3-carboxamide

Systemtic Name: N-(4-hexadecylsulfanylphenyl)pyridine-3-carboxamide Openeye Name: N-(4-hexadecylsulfanylphenyl)pyridine-3-carboxamide CAS Name: N-[4-(hexadecylthio)phenyl]-3-pyridinecarboxamide IUPAC Name: N-(4-hexadecylsulfanylphenyl)pyridine-3-carboxamide Traditional Name: N-[4-(cetylthio)phenyl]nicotinamide Formula: C28H42N2OS MolecularWeight: 454.71088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=CC=C(C=C1)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=CC=C(C=C1)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C28H42N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-32-27-20-18-26(19-21-27)30-28(31)25-17-16-22-29-24-25/h16-22,24H,2-15,23H2,1H3,(H,30,31)