N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[4-(1-pyrazolyl)phenyl]methylthio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]acetamide Traditional Name: N-homoveratryl-2-[(4-pyrazol-1-ylbenzyl)thio]acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSCC2=CC=C(C=C2)N3C=CC=N3)OC

InChI

InChI=1S/C22H25N3O3S/c1-27-20-9-6-17(14-21(20)28-2)10-12-23-22(26)16-29-15-18-4-7-19(8-5-18)25-13-3-11-24-25/h3-9,11,13-14H,10,12,15-16H2,1-2H3,(H,23,26)