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

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetamide Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O3S/c1-30-21-12-19(13-22(14-21)31-2)26-23(29)17-32-16-18-15-25-28(20-8-4-3-5-9-20)24(18)27-10-6-7-11-27/h3-15H,16-17H2,1-2H3,(H,26,29)