4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine

Systemtic Name: 4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine Openeye Name: 4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine CAS Name: 4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine IUPAC Name: 4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine Traditional Name: 4-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]thiomorpholine Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)CN3CCSCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)CN3CCSCC3)OC

InChI

InChI=1S/C16H21N3O2S/c1-20-13-3-4-14(15(9-13)21-2)16-12(10-17-18-16)11-19-5-7-22-8-6-19/h3-4,9-10H,5-8,11H2,1-2H3,(H,17,18)