1-[4-cyano-5-(cyanomethyl)-2-phenyl-pyrazol-3-yl]-3-(4-methylphenyl)sulfonyl-urea

Systemtic Name: 1-[4-cyano-5-(cyanomethyl)-2-phenyl-pyrazol-3-yl]-3-(4-methylphenyl)sulfonyl-urea Openeye Name: 1-[4-cyano-5-(cyanomethyl)-2-phenyl-pyrazol-3-yl]-3-(p-tolylsulfonyl)urea CAS Name: 1-[4-cyano-5-(cyanomethyl)-2-phenyl-3-pyrazolyl]-3-(4-methylphenyl)sulfonylurea IUPAC Name: 1-[4-cyano-5-(cyanomethyl)-2-phenylpyrazol-3-yl]-3-(4-methylphenyl)sulfonylurea Traditional Name: 1-[4-cyano-5-(cyanomethyl)-2-phenyl-pyrazol-3-yl]-3-tosyl-urea Formula: C20H16N6O3S MolecularWeight: 420.44444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)CC#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)CC#N)C#N

InChI

InChI=1S/C20H16N6O3S/c1-14-7-9-16(10-8-14)30(28,29)25-20(27)23-19-17(13-22)18(11-12-21)24-26(19)15-5-3-2-4-6-15/h2-10H,11H2,1H3,(H2,23,25,27)