3-[(3-ethoxyphenoxy)methyl]-1-(4-methylsulfonylphenyl)-5-phenyl-pyrazole

Systemtic Name: 3-[(3-ethoxyphenoxy)methyl]-1-(4-methylsulfonylphenyl)-5-phenyl-pyrazole Openeye Name: 3-[(3-ethoxyphenoxy)methyl]-1-(4-methylsulfonylphenyl)-5-phenyl-pyrazole CAS Name: 3-[(3-ethoxyphenoxy)methyl]-1-(4-methylsulfonylphenyl)-5-phenylpyrazole IUPAC Name: 3-[(3-ethoxyphenoxy)methyl]-1-(4-methylsulfonylphenyl)-5-phenylpyrazole Traditional Name: 3-[(3-ethoxyphenoxy)methyl]-1-(4-mesylphenyl)-5-phenyl-pyrazole Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)OCC2=NN(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)OCC2=NN(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H24N2O4S/c1-3-30-22-10-7-11-23(17-22)31-18-20-16-25(19-8-5-4-6-9-19)27(26-20)21-12-14-24(15-13-21)32(2,28)29/h4-17H,3,18H2,1-2H3