3-[3-ethyl-5-(3-methylphenoxy)-1-phenyl-pyrazol-4-yl]-1-thiomorpholin-4-yl-propan-1-one

Systemtic Name: 3-[3-ethyl-5-(3-methylphenoxy)-1-phenyl-pyrazol-4-yl]-1-thiomorpholin-4-yl-propan-1-one Openeye Name: 3-[3-ethyl-5-(3-methylphenoxy)-1-phenyl-pyrazol-4-yl]-1-thiomorpholino-propan-1-one CAS Name: 3-[3-ethyl-5-(3-methylphenoxy)-1-phenyl-4-pyrazolyl]-1-thiomorpholin-4-yl-1-propanone IUPAC Name: 3-[3-ethyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]-1-thiomorpholin-4-ylpropan-1-one Traditional Name: 3-[3-ethyl-5-(3-methylphenoxy)-1-phenyl-pyrazol-4-yl]-1-thiomorpholino-propan-1-one Formula: C25H29N3O2S MolecularWeight: 435.58166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2S/c1-3-23-22(12-13-24(29)27-14-16-31-17-15-27)25(30-21-11-7-8-19(2)18-21)28(26-23)20-9-5-4-6-10-20/h4-11,18H,3,12-17H2,1-2H3