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

Systemtic Name: 3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxy-pyrazol-4-yl]-1-thiomorpholin-4-yl-propan-1-one Openeye Name: 3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxy-pyrazol-4-yl]-1-thiomorpholino-propan-1-one CAS Name: 3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxy-4-pyrazolyl]-1-thiomorpholin-4-yl-1-propanone IUPAC Name: 3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxypyrazol-4-yl]-1-thiomorpholin-4-ylpropan-1-one Traditional Name: 3-[3-ethyl-1-(4-methoxyphenyl)-5-phenoxy-pyrazol-4-yl]-1-thiomorpholino-propan-1-one Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3S/c1-3-23-22(13-14-24(29)27-15-17-32-18-16-27)25(31-21-7-5-4-6-8-21)28(26-23)19-9-11-20(30-2)12-10-19/h4-12H,3,13-18H2,1-2H3