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

Systemtic Name: N-[4-[[5-cyano-4-oxidanylidene-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-4-fluoranyl-N-methyl-benzenesulfonamide Openeye Name: N-[4-[[5-cyano-4-oxo-6-[5-(2-thienyl)-2-thienyl]-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-4-fluoro-N-methyl-benzenesulfonamide CAS Name: N-[4-[[[5-cyano-4-oxo-6-(5-thiophen-2-yl-2-thiophenyl)-1H-pyrimidin-2-yl]thio]methyl]phenyl]-4-fluoro-N-methylbenzenesulfonamide IUPAC Name: N-[4-[[5-cyano-4-oxo-6-(5-thiophen-2-ylthiophen-2-yl)-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]-4-fluoro-N-methylbenzenesulfonamide Traditional Name: N-[4-[[[5-cyano-4-keto-6-[5-(2-thienyl)-2-thienyl]-1H-pyrimidin-2-yl]thio]methyl]phenyl]-4-fluoro-N-methyl-benzenesulfonamide Formula: C27H19FN4O3S4 MolecularWeight: 594.723163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H19FN4O3S4/c1-32(39(34,35)20-10-6-18(28)7-11-20)19-8-4-17(5-9-19)16-37-27-30-25(21(15-29)26(33)31-27)24-13-12-23(38-24)22-3-2-14-36-22/h2-14H,16H2,1H3,(H,30,31,33)