2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(2,3-difluorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(2,3-difluorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidine-5-carbonitrile Formula: C13H9F2N3OS MolecularWeight: 293.291866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=C(C(=CC=C2)F)F)C#N

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=C(C(=CC=C2)F)F)C#N

InChI

InChI=1S/C13H9F2N3OS/c1-7-9(5-16)12(19)18-13(17-7)20-6-8-3-2-4-10(14)11(8)15/h2-4H,6H2,1H3,(H,17,18,19)