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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C18H11ClFN3OS MolecularWeight: 371.815843

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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=C3Cl)F)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=C(C=CC=C3Cl)F)C#N

InChI

InChI=1S/C18H11ClFN3OS/c19-14-7-4-8-15(20)13(14)10-25-18-22-16(11-5-2-1-3-6-11)12(9-21)17(24)23-18/h1-8H,10H2,(H,22,23,24)