1-[5-methyl-3-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)pyrazol-4-yl]ethanone

Systemtic Name: 1-[5-methyl-3-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)pyrazol-4-yl]ethanone Openeye Name: 1-[5-methyl-1-(4-nitrophenyl)-3-(p-tolylsulfonyl)pyrazol-4-yl]ethanone CAS Name: 1-[5-methyl-3-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)-4-pyrazolyl]ethanone IUPAC Name: 1-[5-methyl-3-(4-methylphenyl)sulfonyl-1-(4-nitrophenyl)pyrazol-4-yl]ethanone Traditional Name: 1-[5-methyl-1-(4-nitrophenyl)-3-tosyl-pyrazol-4-yl]ethanone Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=NN(C(=C2C(=O)C)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=NN(C(=C2C(=O)C)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S/c1-12-4-10-17(11-5-12)28(26,27)19-18(14(3)23)13(2)21(20-19)15-6-8-16(9-7-15)22(24)25/h4-11H,1-3H3