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

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-pyrazole-3-carbonitrile Openeye Name: 2-allyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-methylsulfonylphenyl)pyrazole-3-carbonitrile CAS Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enyl-3-pyrazolecarbonitrile IUPAC Name: 4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-2-prop-2-enylpyrazole-3-carbonitrile Traditional Name: 2-allyl-4-(3-fluoro-4-methoxy-phenyl)-5-(4-mesylphenyl)pyrazole-3-carbonitrile Formula: C21H18FN3O3S MolecularWeight: 411.449323

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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=C)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=C)C#N)F

InChI

InChI=1S/C21H18FN3O3S/c1-4-11-25-18(13-23)20(15-7-10-19(28-2)17(22)12-15)21(24-25)14-5-8-16(9-6-14)29(3,26)27/h4-10,12H,1,11H2,2-3H3