2-[4-(3-fluoranyl-4-methoxy-phenyl)-5-(hydroxymethyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanenitrile

Systemtic Name: 2-[4-(3-fluoranyl-4-methoxy-phenyl)-5-(hydroxymethyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[4-(3-fluoro-4-methoxy-phenyl)-5-(hydroxymethyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-(3-fluoro-4-methoxyphenyl)-5-(hydroxymethyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(3-fluoro-4-methoxyphenyl)-5-(hydroxymethyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[4-(3-fluoro-4-methoxy-phenyl)-3-(4-mesylphenyl)-5-methylol-pyrazol-1-yl]acetonitrile Formula: C20H18FN3O4S MolecularWeight: 415.438023

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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)CO)F

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O4S/c1-28-18-8-5-14(11-16(18)21)19-17(12-25)24(10-9-22)23-20(19)13-3-6-15(7-4-13)29(2,26)27/h3-8,11,25H,10,12H2,1-2H3