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

Systemtic Name: 2-[4-(3-fluoranyl-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethanenitrile Openeye Name: 2-[4-(3-fluoro-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile CAS Name: 2-[4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-1-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(3-fluoro-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]acetonitrile Traditional Name: 2-[4-(3-fluoro-4-methoxy-phenyl)-3-(4-mesylphenyl)pyrazol-1-yl]acetonitrile Formula: C19H16FN3O3S MolecularWeight: 385.412043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16FN3O3S/c1-26-18-8-5-14(11-17(18)20)16-12-23(10-9-21)22-19(16)13-3-6-15(7-4-13)27(2,24)25/h3-8,11-12H,10H2,1-2H3