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

Systemtic Name: N-[(2-bromophenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-[(2-bromophenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetamide CAS Name: N-[(2-bromophenyl)methyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-[(2-bromophenyl)methyl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-(2-bromobenzyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetamide Formula: C23H21BrN4OS MolecularWeight: 481.40804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)CSCC(=O)NCC3=CC=CC=C3Br)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)CSCC(=O)NCC3=CC=CC=C3Br)N4C=CC=C4

InChI

InChI=1S/C23H21BrN4OS/c24-21-11-5-4-8-18(21)14-25-22(29)17-30-16-19-15-26-28(20-9-2-1-3-10-20)23(19)27-12-6-7-13-27/h1-13,15H,14,16-17H2,(H,25,29)