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

Systemtic Name: 4-[5-(4-methylsulfonylphenyl)-3-(4-oxidanylbutanoyl)pyrazol-1-yl]benzenecarbonitrile Openeye Name: 4-[3-(4-hydroxybutanoyl)-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzonitrile CAS Name: 4-[3-(4-hydroxy-1-oxobutyl)-5-(4-methylsulfonylphenyl)-1-pyrazolyl]benzonitrile IUPAC Name: 4-[3-(4-hydroxybutanoyl)-5-(4-methylsulfonylphenyl)pyrazol-1-yl]benzonitrile Traditional Name: 4-[3-(4-hydroxybutanoyl)-5-(4-mesylphenyl)pyrazol-1-yl]benzonitrile Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C#N)C(=O)CCCO

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C#N)C(=O)CCCO

InChI

InChI=1S/C21H19N3O4S/c1-29(27,28)18-10-6-16(7-11-18)20-13-19(21(26)3-2-12-25)23-24(20)17-8-4-15(14-22)5-9-17/h4-11,13,25H,2-3,12H2,1H3