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

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetamide CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-(2,5-dimethoxybenzyl)-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(=C(C=C1)OC)CNC(=O)CSCC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

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

InChI

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