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

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-6-cyclopropyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-cyclopropyl-2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-cyclopropyl-2-[(2,3-difluorophenyl)methylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-cyclopropyl-2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-cyclopropyl-2-[(2,3-difluorobenzyl)thio]-4-keto-1H-pyrimidine-5-carbonitrile Formula: C15H11F2N3OS MolecularWeight: 319.329146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=O)N=C(N2)SCC3=C(C(=CC=C3)F)F)C#N

Isomeric SMILES

C1CC1C2=C(C(=O)N=C(N2)SCC3=C(C(=CC=C3)F)F)C#N

InChI

InChI=1S/C15H11F2N3OS/c16-11-3-1-2-9(12(11)17)7-22-15-19-13(8-4-5-8)10(6-18)14(21)20-15/h1-3,8H,4-5,7H2,(H,19,20,21)