N-(5-chloranyl-2-nitro-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-nitro-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-nitro-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(5-chloro-2-nitrophenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(5-chloro-2-nitrophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N-(5-chloro-2-nitro-phenyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C22H14ClFN4O3S MolecularWeight: 468.887963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C22H14ClFN4O3S/c23-14-7-10-19(28(30)31)18(11-14)25-20(29)12-32-22-17-4-2-1-3-16(17)21(26-27-22)13-5-8-15(24)9-6-13/h1-11H,12H2,(H,25,29)