N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-homoveratryl-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetamide Formula: C26H28N4O3S MolecularWeight: 476.59052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)OC

InChI

InChI=1S/C26H28N4O3S/c1-32-23-11-10-20(16-24(23)33-2)12-13-27-25(31)19-34-18-21-17-28-30(22-8-4-3-5-9-22)26(21)29-14-6-7-15-29/h3-11,14-17H,12-13,18-19H2,1-2H3,(H,27,31)