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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]propionamide Formula: C23H16ClFN4O3S MolecularWeight: 482.914543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H16ClFN4O3S/c1-13(22(30)26-20-11-10-16(29(31)32)12-19(20)24)33-23-18-5-3-2-4-17(18)21(27-28-23)14-6-8-15(25)9-7-14/h2-13H,1H3,(H,26,30)