1-[1-[4-(2-methylsulfonylphenyl)-3-phenyl-pyrazol-1-yl]prop-2-ynyl]-1-oxidanyl-urea

Systemtic Name: 1-[1-[4-(2-methylsulfonylphenyl)-3-phenyl-pyrazol-1-yl]prop-2-ynyl]-1-oxidanyl-urea Openeye Name: 1-hydroxy-1-[1-[4-(2-methylsulfonylphenyl)-3-phenyl-pyrazol-1-yl]prop-2-ynyl]urea CAS Name: 1-hydroxy-1-[1-[4-(2-methylsulfonylphenyl)-3-phenyl-1-pyrazolyl]prop-2-ynyl]urea IUPAC Name: 1-hydroxy-1-[1-[4-(2-methylsulfonylphenyl)-3-phenylpyrazol-1-yl]prop-2-ynyl]urea Traditional Name: 1-hydroxy-1-[1-[4-(2-mesylphenyl)-3-phenyl-pyrazol-1-yl]prop-2-ynyl]urea Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CN(N=C2C3=CC=CC=C3)C(C#C)N(C(=O)N)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CN(N=C2C3=CC=CC=C3)C(C#C)N(C(=O)N)O

InChI

InChI=1S/C20H18N4O4S/c1-3-18(24(26)20(21)25)23-13-16(19(22-23)14-9-5-4-6-10-14)15-11-7-8-12-17(15)29(2,27)28/h1,4-13,18,26H,2H3,(H2,21,25)