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

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-(2-furyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(4-fluorophenyl)methylthio]-6-(2-furanyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(4-fluorobenzyl)thio]-6-(2-furyl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C16H10FN3O2S MolecularWeight: 327.332903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)F)C#N

Isomeric SMILES

C1=COC(=C1)C2=C(C(=O)N=C(N2)SCC3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C16H10FN3O2S/c17-11-5-3-10(4-6-11)9-23-16-19-14(13-2-1-7-22-13)12(8-18)15(21)20-16/h1-7H,9H2,(H,19,20,21)