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

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carbonitrile Openeye Name: 4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-pyrazole-3-carbonitrile CAS Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-phenethyl-3-pyrazolecarbonitrile IUPAC Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-phenethylpyrazole-3-carbonitrile Traditional Name: 4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)-2-phenethyl-pyrazole-3-carbonitrile Formula: C26H22FN3O3S MolecularWeight: 475.534583

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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)CCC4=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)CCC4=CC=CC=C4)C#N)F

InChI

InChI=1S/C26H22FN3O3S/c1-33-24-13-10-20(16-22(24)27)25-23(17-28)30(15-14-18-6-4-3-5-7-18)29-26(25)19-8-11-21(12-9-19)34(2,31)32/h3-13,16H,14-15H2,1-2H3