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

Systemtic Name: 2-[4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[5-(benzyloxymethyl)-4-(3-fluoro-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-5-(phenylmethoxymethyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[5-(benzoxymethyl)-4-(3-fluoro-4-methoxy-phenyl)-3-(4-mesylphenyl)pyrazol-1-yl]acetonitrile Formula: C27H24FN3O4S MolecularWeight: 505.560563

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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)COCC4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)C)CC#N)COCC4=CC=CC=C4)F

InChI

InChI=1S/C27H24FN3O4S/c1-34-25-13-10-21(16-23(25)28)26-24(18-35-17-19-6-4-3-5-7-19)31(15-14-29)30-27(26)20-8-11-22(12-9-20)36(2,32)33/h3-13,16H,15,17-18H2,1-2H3