1-(3-fluoranyl-4-methylsulfonyl-phenyl)-5-[4-(furan-2-yl)phenyl]pyrazole-4-carbonitrile

Systemtic Name: 1-(3-fluoranyl-4-methylsulfonyl-phenyl)-5-[4-(furan-2-yl)phenyl]pyrazole-4-carbonitrile Openeye Name: 1-(3-fluoro-4-methylsulfonyl-phenyl)-5-[4-(2-furyl)phenyl]pyrazole-4-carbonitrile CAS Name: 1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-furanyl)phenyl]-4-pyrazolecarbonitrile IUPAC Name: 1-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(furan-2-yl)phenyl]pyrazole-4-carbonitrile Traditional Name: 1-(3-fluoro-4-mesyl-phenyl)-5-[4-(2-furyl)phenyl]pyrazole-4-carbonitrile Formula: C21H14FN3O3S MolecularWeight: 407.417563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)N2C(=C(C=N2)C#N)C3=CC=C(C=C3)C4=CC=CO4)F

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)N2C(=C(C=N2)C#N)C3=CC=C(C=C3)C4=CC=CO4)F

InChI

InChI=1S/C21H14FN3O3S/c1-29(26,27)20-9-8-17(11-18(20)22)25-21(16(12-23)13-24-25)15-6-4-14(5-7-15)19-3-2-10-28-19/h2-11,13H,1H3