4-[3-(2-methoxyoxolan-2-yl)-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[3-(2-methoxyoxolan-2-yl)-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzenecarbonitrile Openeye Name: 4-[3-(2-methoxytetrahydrofuran-2-yl)-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzonitrile CAS Name: 4-[3-(2-methoxy-2-oxolanyl)-5-(4-methylsulfonylphenyl)-1-pyrazolyl]benzonitrile IUPAC Name: 4-[3-(2-methoxyoxolan-2-yl)-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzonitrile Traditional Name: 4-[5-(4-mesylphenyl)-3-(2-methoxytetrahydrofuran-2-yl)pyrazol-1-yl]benzonitrile Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCCO1)C2=NN(C(=C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC1(CCCO1)C2=NN(C(=C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21N3O4S/c1-28-22(12-3-13-29-22)21-14-20(17-6-10-19(11-7-17)30(2,26)27)25(24-21)18-8-4-16(15-23)5-9-18/h4-11,14H,3,12-13H2,1-2H3