N-[(3-bromophenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanamide

Systemtic Name: N-[(3-bromophenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]ethanamide Openeye Name: N-[(3-bromophenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide CAS Name: N-[(3-bromophenyl)methyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylsulfinyl]acetamide IUPAC Name: N-[(3-bromophenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfinyl]acetamide Traditional Name: N-(3-bromobenzyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfinyl]acetamide Formula: C23H21BrN4O2S MolecularWeight: 497.40744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)CS(=O)CC(=O)NCC3=CC(=CC=C3)Br)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)CS(=O)CC(=O)NCC3=CC(=CC=C3)Br)N4C=CC=C4

InChI

InChI=1S/C23H21BrN4O2S/c24-20-8-6-7-18(13-20)14-25-22(29)17-31(30)16-19-15-26-28(21-9-2-1-3-10-21)23(19)27-11-4-5-12-27/h1-13,15H,14,16-17H2,(H,25,29)