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

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-o-veratryl-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C25H26N4O3S/c1-31-22-12-8-9-19(24(22)32-2)15-26-23(30)18-33-17-20-16-27-29(21-10-4-3-5-11-21)25(20)28-13-6-7-14-28/h3-14,16H,15,17-18H2,1-2H3,(H,26,30)