1-[2-[4-(4-chlorophenyl)-3-(2-methylsulfonylphenyl)pyrazol-1-yl]but-3-yn-2-yl]-1-oxidanyl-urea

Systemtic Name: 1-[2-[4-(4-chlorophenyl)-3-(2-methylsulfonylphenyl)pyrazol-1-yl]but-3-yn-2-yl]-1-oxidanyl-urea Openeye Name: 1-[1-[4-(4-chlorophenyl)-3-(2-methylsulfonylphenyl)pyrazol-1-yl]-1-methyl-prop-2-ynyl]-1-hydroxy-urea CAS Name: 1-[2-[4-(4-chlorophenyl)-3-(2-methylsulfonylphenyl)-1-pyrazolyl]but-3-yn-2-yl]-1-hydroxyurea IUPAC Name: 1-[2-[4-(4-chlorophenyl)-3-(2-methylsulfonylphenyl)pyrazol-1-yl]but-3-yn-2-yl]-1-hydroxyurea Traditional Name: 1-[1-[4-(4-chlorophenyl)-3-(2-mesylphenyl)pyrazol-1-yl]-1-methyl-prop-2-ynyl]-1-hydroxy-urea Formula: C21H19ClN4O4S MolecularWeight: 458.91796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)(N1C=C(C(=N1)C2=CC=CC=C2S(=O)(=O)C)C3=CC=C(C=C3)Cl)N(C(=O)N)O

Isomeric SMILES

CC(C#C)(N1C=C(C(=N1)C2=CC=CC=C2S(=O)(=O)C)C3=CC=C(C=C3)Cl)N(C(=O)N)O

InChI

InChI=1S/C21H19ClN4O4S/c1-4-21(2,26(28)20(23)27)25-13-17(14-9-11-15(22)12-10-14)19(24-25)16-7-5-6-8-18(16)31(3,29)30/h1,5-13,28H,2-3H3,(H2,23,27)