N-[4-[[5-cyano-4-oxidanylidene-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanylmethyl]-3-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]-3-methoxy-phenyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[4-[[5-cyano-4-oxo-6-[5-(2-thienyl)-2-thienyl]-1H-pyrimidin-2-yl]sulfanylmethyl]-3-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]-3-methoxyphenyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[4-[[5-cyano-4-oxo-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanylmethyl]-3-methoxyphenyl]-4-fluorobenzenesulfonamide Traditional Name: N-[4-[[[5-cyano-4-keto-6-[5-(2-thienyl)-2-thienyl]-1H-pyrimidin-2-yl]thio]methyl]-3-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)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

COC1=C(C=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/C27H19FN4O4S4/c1-36-21-13-18(32-40(34,35)19-8-5-17(28)6-9-19)7-4-16(21)15-38-27-30-25(20(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)