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

Systemtic Name: N-(4-butoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(4-butoxyphenyl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(4-butoxyphenyl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(4-butoxyphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(4-butoxyphenyl)-2-(4-pyridylmethylthio)nicotinamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3

InChI

InChI=1S/C22H23N3O2S/c1-2-3-15-27-19-8-6-18(7-9-19)25-21(26)20-5-4-12-24-22(20)28-16-17-10-13-23-14-11-17/h4-14H,2-3,15-16H2,1H3,(H,25,26)