2-[[5-cyano-6-(3-fluorophenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethylsulfanyl]-6-(3-fluorophenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[[5-cyano-6-(3-fluorophenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanylmethylsulfanyl]-6-(3-fluorophenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[[5-cyano-6-(3-fluorophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethylsulfanyl]-6-(3-fluorophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[[[5-cyano-6-(3-fluorophenyl)-4-oxo-1H-pyrimidin-2-yl]thio]methylthio]-6-(3-fluorophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[[5-cyano-6-(3-fluorophenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanylmethylsulfanyl]-6-(3-fluorophenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[[[5-cyano-6-(3-fluorophenyl)-4-keto-1H-pyrimidin-2-yl]thio]methylthio]-6-(3-fluorophenyl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C23H12F2N6O2S2 MolecularWeight: 506.507186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C2=C(C(=O)N=C(N2)SCSC3=NC(=O)C(=C(N3)C4=CC(=CC=C4)F)C#N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)F)C2=C(C(=O)N=C(N2)SCSC3=NC(=O)C(=C(N3)C4=CC(=CC=C4)F)C#N)C#N

InChI

InChI=1S/C23H12F2N6O2S2/c24-14-5-1-3-12(7-14)18-16(9-26)20(32)30-22(28-18)34-11-35-23-29-19(17(10-27)21(33)31-23)13-4-2-6-15(25)8-13/h1-8H,11H2,(H,28,30,32)(H,29,31,33)