1-[2-[4-(2-methylsulfonylphenyl)-3-phenyl-1,2-dihydropyrazol-3-yl]but-3-yn-2-yl]-1-oxidanyl-urea

Systemtic Name: 1-[2-[4-(2-methylsulfonylphenyl)-3-phenyl-1,2-dihydropyrazol-3-yl]but-3-yn-2-yl]-1-oxidanyl-urea Openeye Name: 1-hydroxy-1-[1-methyl-1-[4-(2-methylsulfonylphenyl)-3-phenyl-1,2-dihydropyrazol-3-yl]prop-2-ynyl]urea CAS Name: 1-hydroxy-1-[2-[4-(2-methylsulfonylphenyl)-3-phenyl-1,2-dihydropyrazol-3-yl]but-3-yn-2-yl]urea IUPAC Name: 1-hydroxy-1-[2-[4-(2-methylsulfonylphenyl)-3-phenyl-1,2-dihydropyrazol-3-yl]but-3-yn-2-yl]urea Traditional Name: 1-hydroxy-1-[1-[4-(2-mesylphenyl)-3-phenyl-3-pyrazolin-3-yl]-1-methyl-prop-2-ynyl]urea Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)(C1(C(=CNN1)C2=CC=CC=C2S(=O)(=O)C)C3=CC=CC=C3)N(C(=O)N)O

Isomeric SMILES

CC(C#C)(C1(C(=CNN1)C2=CC=CC=C2S(=O)(=O)C)C3=CC=CC=C3)N(C(=O)N)O

InChI

InChI=1S/C21H22N4O4S/c1-4-20(2,25(27)19(22)26)21(15-10-6-5-7-11-15)17(14-23-24-21)16-12-8-9-13-18(16)30(3,28)29/h1,5-14,23-24,27H,2-3H3,(H2,22,26)