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

Systemtic Name: 2-(cyanomethyl)-4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Openeye Name: 2-(cyanomethyl)-4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile CAS Name: 2-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-3-pyrazolecarbonitrile IUPAC Name: 2-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile Traditional Name: 2-(cyanomethyl)-4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)pyrazole-3-carbonitrile Formula: C20H15FN4O3S MolecularWeight: 410.421503

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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)CC#N)C#N)F

Isomeric SMILES

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

InChI

InChI=1S/C20H15FN4O3S/c1-28-18-8-5-14(11-16(18)21)19-17(12-23)25(10-9-22)24-20(19)13-3-6-15(7-4-13)29(2,26)27/h3-8,11H,10H2,1-2H3