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

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(2,3-difluorophenyl)methylthio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(2,3-difluorobenzyl)thio]-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C18H11F2N3OS MolecularWeight: 355.361246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=C(C(=CC=C3)F)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=C(C(=CC=C3)F)F)C#N

InChI

InChI=1S/C18H11F2N3OS/c19-14-8-4-7-12(15(14)20)10-25-18-22-16(11-5-2-1-3-6-11)13(9-21)17(24)23-18/h1-8H,10H2,(H,22,23,24)