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

Systemtic Name: N-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-ethanamide Openeye Name: N-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-acetamide CAS Name: N-[1-[(2,3-dimethoxyphenyl)methyl]-4-pyrazolyl]-2-[(3,4-dimethoxyphenyl)thio]acetamide IUPAC Name: N-[1-[(2,3-dimethoxyphenyl)methyl]pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide Traditional Name: 2-[(3,4-dimethoxyphenyl)thio]-N-(1-o-veratrylpyrazol-4-yl)acetamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)NC2=CN(N=C2)CC3=C(C(=CC=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)NC2=CN(N=C2)CC3=C(C(=CC=C3)OC)OC)OC

InChI

InChI=1S/C22H25N3O5S/c1-27-18-9-8-17(10-20(18)29-3)31-14-21(26)24-16-11-23-25(13-16)12-15-6-5-7-19(28-2)22(15)30-4/h5-11,13H,12,14H2,1-4H3,(H,24,26)