N-[(4-ethoxyphenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-[(4-ethoxyphenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetamide CAS Name: N-[(4-ethoxyphenyl)methyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-[(4-ethoxyphenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-(4-ethoxybenzyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C25H26N4O2S/c1-2-31-23-12-10-20(11-13-23)16-26-24(30)19-32-18-21-17-27-29(22-8-4-3-5-9-22)25(21)28-14-6-7-15-28/h3-15,17H,2,16,18-19H2,1H3,(H,26,30)