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

Systemtic Name: N-(4-butylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(4-butylphenyl)-2-(4-pyridylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-(4-butylphenyl)-2-(pyridin-4-ylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(4-butylphenyl)-2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-(4-butylphenyl)-2-(4-pyridylmethylthio)nicotinamide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3

InChI

InChI=1S/C22H23N3OS/c1-2-3-5-17-7-9-19(10-8-17)25-21(26)20-6-4-13-24-22(20)27-16-18-11-14-23-15-12-18/h4,6-15H,2-3,5,16H2,1H3,(H,25,26)