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

Systemtic Name: 2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-oxidanylidene-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(2,3-difluorophenyl)methylthio]-4-oxo-6-(3-pyridinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxo-6-pyridin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(2,3-difluorobenzyl)thio]-4-keto-6-(3-pyridyl)-1H-pyrimidine-5-carbonitrile Formula: C17H10F2N4OS MolecularWeight: 356.349306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)F)CSC2=NC(=O)C(=C(N2)C3=CN=CC=C3)C#N

Isomeric SMILES

C1=CC(=C(C(=C1)F)F)CSC2=NC(=O)C(=C(N2)C3=CN=CC=C3)C#N

InChI

InChI=1S/C17H10F2N4OS/c18-13-5-1-3-11(14(13)19)9-25-17-22-15(10-4-2-6-21-8-10)12(7-20)16(24)23-17/h1-6,8H,9H2,(H,22,23,24)