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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-ethyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-6-ethyl-4-keto-1H-pyrimidine-5-carbonitrile Formula: C14H11ClFN3OS MolecularWeight: 323.773043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC2=C(C=CC=C2Cl)F)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC2=C(C=CC=C2Cl)F)C#N

InChI

InChI=1S/C14H11ClFN3OS/c1-2-12-8(6-17)13(20)19-14(18-12)21-7-9-10(15)4-3-5-11(9)16/h3-5H,2,7H2,1H3,(H,18,19,20)