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

Systemtic Name: 6-ethyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-ethyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-ethyl-2-[(4-fluorophenyl)methylthio]-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-ethyl-2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-2-[(4-fluorobenzyl)thio]-4-keto-1H-pyrimidine-5-carbonitrile Formula: C14H12FN3OS MolecularWeight: 289.327983

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)F)C#N

InChI

InChI=1S/C14H12FN3OS/c1-2-12-11(7-16)13(19)18-14(17-12)20-8-9-3-5-10(15)6-4-9/h3-6H,2,8H2,1H3,(H,17,18,19)