1-butyl-5-(4-chloranylthiophen-2-yl)-N-[(4-fluorophenyl)methyl]-2-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-butyl-5-(4-chloranylthiophen-2-yl)-N-[(4-fluorophenyl)methyl]-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-butyl-5-(4-chloro-2-thienyl)-N-[(4-fluorophenyl)methyl]-2-oxo-pyridine-3-carboxamide CAS Name: 1-butyl-5-(4-chloro-2-thiophenyl)-N-[(4-fluorophenyl)methyl]-2-oxo-3-pyridinecarboxamide IUPAC Name: 1-butyl-5-(4-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide Traditional Name: 1-butyl-5-(4-chloro-2-thienyl)-N-(4-fluorobenzyl)-2-keto-nicotinamide Formula: C21H20ClFN2O2S MolecularWeight: 418.912103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C=C(C1=O)C(=O)NCC2=CC=C(C=C2)F)C3=CC(=CS3)Cl

Isomeric SMILES

CCCCN1C=C(C=C(C1=O)C(=O)NCC2=CC=C(C=C2)F)C3=CC(=CS3)Cl

InChI

InChI=1S/C21H20ClFN2O2S/c1-2-3-8-25-12-15(19-10-16(22)13-28-19)9-18(21(25)27)20(26)24-11-14-4-6-17(23)7-5-14/h4-7,9-10,12-13H,2-3,8,11H2,1H3,(H,24,26)