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

Systemtic Name: N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanyl-ethanamide Openeye Name: N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanyl-acetamide CAS Name: N-[2-[(2,3-dimethoxyphenyl)methyl]-3-pyrazolyl]-2-[(4-ethoxyphenyl)thio]acetamide IUPAC Name: N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide Traditional Name: N-(2-o-veratrylpyrazol-3-yl)-2-(p-phenetylthio)acetamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NC2=CC=NN2CC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)NC2=CC=NN2CC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H25N3O4S/c1-4-29-17-8-10-18(11-9-17)30-15-21(26)24-20-12-13-23-25(20)14-16-6-5-7-19(27-2)22(16)28-3/h5-13H,4,14-15H2,1-3H3,(H,24,26)