N-[3-[[5-cyano-4-oxidanylidene-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[3-[[5-cyano-4-oxidanylidene-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[3-[[5-cyano-4-oxo-6-[5-(2-thienyl)-2-thienyl]-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-4-fluoro-benzenesulfonamide CAS Name: N-[3-[[[5-cyano-4-oxo-6-(5-thiophen-2-yl-2-thiophenyl)-1H-pyrimidin-2-yl]thio]methyl]phenyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[3-[[5-cyano-4-oxo-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-4-fluorobenzenesulfonamide Traditional Name: N-[3-[[[5-cyano-4-keto-6-[5-(2-thienyl)-2-thienyl]-1H-pyrimidin-2-yl]thio]methyl]phenyl]-4-fluoro-benzenesulfonamide Formula: C26H17FN4O3S4 MolecularWeight: 580.696583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)CSC3=NC(=O)C(=C(N3)C4=CC=C(S4)C5=CC=CS5)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)F)CSC3=NC(=O)C(=C(N3)C4=CC=C(S4)C5=CC=CS5)C#N

InChI

InChI=1S/C26H17FN4O3S4/c27-17-6-8-19(9-7-17)38(33,34)31-18-4-1-3-16(13-18)15-36-26-29-24(20(14-28)25(32)30-26)23-11-10-22(37-23)21-5-2-12-35-21/h1-13,31H,15H2,(H,29,30,32)