1-[2-(4-bromophenyl)-4-cyano-pyrazol-3-yl]-3-(4-methylphenyl)sulfonyl-urea

Systemtic Name: 1-[2-(4-bromophenyl)-4-cyano-pyrazol-3-yl]-3-(4-methylphenyl)sulfonyl-urea Openeye Name: 1-[2-(4-bromophenyl)-4-cyano-pyrazol-3-yl]-3-(p-tolylsulfonyl)urea CAS Name: 1-[2-(4-bromophenyl)-4-cyano-3-pyrazolyl]-3-(4-methylphenyl)sulfonylurea IUPAC Name: 1-[2-(4-bromophenyl)-4-cyanopyrazol-3-yl]-3-(4-methylphenyl)sulfonylurea Traditional Name: 1-[2-(4-bromophenyl)-4-cyano-pyrazol-3-yl]-3-tosyl-urea Formula: C18H14BrN5O3S MolecularWeight: 460.30446

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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=C(C=C3)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN5O3S/c1-12-2-8-16(9-3-12)28(26,27)23-18(25)22-17-13(10-20)11-21-24(17)15-6-4-14(19)5-7-15/h2-9,11H,1H3,(H2,22,23,25)