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

Systemtic Name: N-(4-butylsulfanylphenyl)pyridine-3-carboxamide Openeye Name: N-(4-butylsulfanylphenyl)pyridine-3-carboxamide CAS Name: N-[4-(butylthio)phenyl]-3-pyridinecarboxamide IUPAC Name: N-(4-butylsulfanylphenyl)pyridine-3-carboxamide Traditional Name: N-[4-(butylthio)phenyl]nicotinamide Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCCSC1=CC=C(C=C1)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H18N2OS/c1-2-3-11-20-15-8-6-14(7-9-15)18-16(19)13-5-4-10-17-12-13/h4-10,12H,2-3,11H2,1H3,(H,18,19)