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

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-6-phenethyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-6-phenethyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(2,3-difluorophenyl)methylthio]-4-oxo-6-phenethyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-6-phenethyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(2,3-difluorobenzyl)thio]-4-keto-6-phenethyl-1H-pyrimidine-5-carbonitrile Formula: C20H15F2N3OS MolecularWeight: 383.414406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C(=O)N=C(N2)SCC3=C(C(=CC=C3)F)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C(=O)N=C(N2)SCC3=C(C(=CC=C3)F)F)C#N

InChI

InChI=1S/C20H15F2N3OS/c21-16-8-4-7-14(18(16)22)12-27-20-24-17(15(11-23)19(26)25-20)10-9-13-5-2-1-3-6-13/h1-8H,9-10,12H2,(H,24,25,26)