2-[4-[4-(furan-2-yl)phenyl]-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]ethanenitrile

Systemtic Name: 2-[4-[4-(furan-2-yl)phenyl]-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]ethanenitrile Openeye Name: 2-[4-[4-(2-furyl)phenyl]-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]acetonitrile CAS Name: 2-[4-[4-(2-furanyl)phenyl]-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]acetonitrile IUPAC Name: 2-[4-[4-(furan-2-yl)phenyl]-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]acetonitrile Traditional Name: 2-[4-[4-(2-furyl)phenyl]-3-(4-mesylphenyl)-1H-pyrazol-5-yl]acetonitrile Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=C2C3=CC=C(C=C3)C4=CC=CO4)CC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=C2C3=CC=C(C=C3)C4=CC=CO4)CC#N

InChI

InChI=1S/C22H17N3O3S/c1-29(26,27)18-10-8-17(9-11-18)22-21(19(12-13-23)24-25-22)16-6-4-15(5-7-16)20-3-2-14-28-20/h2-11,14H,12H2,1H3,(H,24,25)