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

Systemtic Name: 1-(5-butyl-4-cyano-2-phenyl-pyrazol-3-yl)-3-(2-methylphenyl)sulfonyl-urea Openeye Name: 1-(5-butyl-4-cyano-2-phenyl-pyrazol-3-yl)-3-(o-tolylsulfonyl)urea CAS Name: 1-(5-butyl-4-cyano-2-phenyl-3-pyrazolyl)-3-(2-methylphenyl)sulfonylurea IUPAC Name: 1-(5-butyl-4-cyano-2-phenylpyrazol-3-yl)-3-(2-methylphenyl)sulfonylurea Traditional Name: 1-(5-butyl-4-cyano-2-phenyl-pyrazol-3-yl)-3-(o-tolylsulfonyl)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=CC=C2C)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=NN(C(=C1C#N)NC(=O)NS(=O)(=O)C2=CC=CC=C2C)C3=CC=CC=C3

InChI

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