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

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-6-tert-butyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-tert-butyl-2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-tert-butyl-2-[(2,3-difluorophenyl)methylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-tert-butyl-2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-tert-butyl-2-[(2,3-difluorobenzyl)thio]-4-keto-1H-pyrimidine-5-carbonitrile Formula: C16H15F2N3OS MolecularWeight: 335.371606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=O)N=C(N1)SCC2=C(C(=CC=C2)F)F)C#N

Isomeric SMILES

CC(C)(C)C1=C(C(=O)N=C(N1)SCC2=C(C(=CC=C2)F)F)C#N

InChI

InChI=1S/C16H15F2N3OS/c1-16(2,3)13-10(7-19)14(22)21-15(20-13)23-8-9-5-4-6-11(17)12(9)18/h4-6H,8H2,1-3H3,(H,20,21,22)