N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]-N-veratryl-acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25N3O3S/c1-15-22(16(2)25(24-15)18-8-6-5-7-9-18)29-14-21(26)23-13-17-10-11-19(27-3)20(12-17)28-4/h5-12H,13-14H2,1-4H3,(H,23,26)