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

Systemtic Name: N-[4-[[5-cyano-4-oxidanylidene-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanylmethyl]-2-methoxy-phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[4-[[5-cyano-4-oxo-6-[5-(2-thienyl)-2-thienyl]-1H-pyrimidin-2-yl]sulfanylmethyl]-2-methoxy-phenyl]-4-fluoro-benzenesulfonamide CAS Name: N-[4-[[[5-cyano-4-oxo-6-(5-thiophen-2-yl-2-thiophenyl)-1H-pyrimidin-2-yl]thio]methyl]-2-methoxyphenyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[4-[[5-cyano-4-oxo-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanylmethyl]-2-methoxyphenyl]-4-fluorobenzenesulfonamide Traditional Name: N-[4-[[[5-cyano-4-keto-6-[5-(2-thienyl)-2-thienyl]-1H-pyrimidin-2-yl]thio]methyl]-2-methoxy-phenyl]-4-fluoro-benzenesulfonamide Formula: C27H19FN4O4S4 MolecularWeight: 610.722563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CSC2=NC(=O)C(=C(N2)C3=CC=C(S3)C4=CC=CS4)C#N)NS(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=C(C=CC(=C1)CSC2=NC(=O)C(=C(N2)C3=CC=C(S3)C4=CC=CS4)C#N)NS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H19FN4O4S4/c1-36-21-13-16(4-9-20(21)32-40(34,35)18-7-5-17(28)6-8-18)15-38-27-30-25(19(14-29)26(33)31-27)24-11-10-23(39-24)22-3-2-12-37-22/h2-13,32H,15H2,1H3,(H,30,31,33)