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

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanamide Openeye Name: N-(2,4-difluorophenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]acetamide CAS Name: N-(2,4-difluorophenyl)-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]acetamide IUPAC Name: N-(2,4-difluorophenyl)-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]acetamide Traditional Name: N-(2,4-difluorophenyl)-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]acetamide Formula: C22H18F2N4OS MolecularWeight: 424.466326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)CSCC(=O)NC3=C(C=C(C=C3)F)F)N4C=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)CSCC(=O)NC3=C(C=C(C=C3)F)F)N4C=CC=C4

InChI

InChI=1S/C22H18F2N4OS/c23-17-8-9-20(19(24)12-17)26-21(29)15-30-14-16-13-25-28(18-6-2-1-3-7-18)22(16)27-10-4-5-11-27/h1-13H,14-15H2,(H,26,29)