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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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