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

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]ethanamide Openeye Name: N-[1-(2-benzyloxyethyl)pyrazol-4-yl]-2-(3,4-dimethoxyphenyl)sulfanyl-acetamide CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-N-[1-(2-phenylmethoxyethyl)-4-pyrazolyl]acetamide IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]acetamide Traditional Name: N-[1-(2-benzoxyethyl)pyrazol-4-yl]-2-[(3,4-dimethoxyphenyl)thio]acetamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)NC2=CN(N=C2)CCOCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)NC2=CN(N=C2)CCOCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H25N3O4S/c1-27-20-9-8-19(12-21(20)28-2)30-16-22(26)24-18-13-23-25(14-18)10-11-29-15-17-6-4-3-5-7-17/h3-9,12-14H,10-11,15-16H2,1-2H3,(H,24,26)