4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyrazole-3-carbonitrile

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)pyrazole-3-carbonitrile Openeye Name: 2-benzyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile CAS Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-(phenylmethyl)-3-pyrazolecarbonitrile IUPAC Name: 2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Traditional Name: 2-benzyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)pyrazole-3-carbonitrile Formula: C25H20FN3O3S MolecularWeight: 461.508003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC4=CC=CC=C4)C#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC4=CC=CC=C4)C#N)F

InChI

InChI=1S/C25H20FN3O3S/c1-32-23-13-10-19(14-21(23)26)24-22(15-27)29(16-17-6-4-3-5-7-17)28-25(24)18-8-11-20(12-9-18)33(2,30)31/h3-14H,16H2,1-2H3