2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide Formula: C27H22FN5OS MolecularWeight: 483.559883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NCCC3=CC=C(C=C3)N4C=CC=N4)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NCCC3=CC=C(C=C3)N4C=CC=N4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H22FN5OS/c28-21-10-8-20(9-11-21)26-23-4-1-2-5-24(23)27(32-31-26)35-18-25(34)29-16-14-19-6-12-22(13-7-19)33-17-3-15-30-33/h1-13,15,17H,14,16,18H2,(H,29,34)