1-(5-butyl-4-cyano-2-phenyl-pyrazol-3-yl)-3-(4-methylphenyl)sulfonyl-urea

Systemtic Name: 1-(5-butyl-4-cyano-2-phenyl-pyrazol-3-yl)-3-(4-methylphenyl)sulfonyl-urea Openeye Name: 1-(5-butyl-4-cyano-2-phenyl-pyrazol-3-yl)-3-(p-tolylsulfonyl)urea CAS Name: 1-(5-butyl-4-cyano-2-phenyl-3-pyrazolyl)-3-(4-methylphenyl)sulfonylurea IUPAC Name: 1-(5-butyl-4-cyano-2-phenylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylurea Traditional Name: 1-(5-butyl-4-cyano-2-phenyl-pyrazol-3-yl)-3-tosyl-urea Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1C#N)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=NN(C(=C1C#N)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C22H23N5O3S/c1-3-4-10-20-19(15-23)21(27(25-20)17-8-6-5-7-9-17)24-22(28)26-31(29,30)18-13-11-16(2)12-14-18/h5-9,11-14H,3-4,10H2,1-2H3,(H2,24,26,28)