3-[3-ethyl-5-(3-fluoranylphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-1-thiomorpholin-4-yl-propan-1-one

Systemtic Name: 3-[3-ethyl-5-(3-fluoranylphenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-1-thiomorpholin-4-yl-propan-1-one Openeye Name: 3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-1-thiomorpholino-propan-1-one CAS Name: 3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)-4-pyrazolyl]-1-thiomorpholin-4-yl-1-propanone IUPAC Name: 3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-1-thiomorpholin-4-ylpropan-1-one Traditional Name: 3-[3-ethyl-5-(3-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-1-thiomorpholino-propan-1-one Formula: C25H28FN3O3S MolecularWeight: 469.571523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1CCC(=O)N2CCSCC2)OC3=CC(=CC=C3)F)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=NN(C(=C1CCC(=O)N2CCSCC2)OC3=CC(=CC=C3)F)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H28FN3O3S/c1-3-23-22(11-12-24(30)28-13-15-33-16-14-28)25(32-21-6-4-5-18(26)17-21)29(27-23)19-7-9-20(31-2)10-8-19/h4-10,17H,3,11-16H2,1-2H3