2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C22H15FN4O3S MolecularWeight: 434.442903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15FN4O3S/c23-15-10-8-14(9-11-15)21-18-6-1-2-7-19(18)22(26-25-21)31-13-20(28)24-16-4-3-5-17(12-16)27(29)30/h1-12H,13H2,(H,24,28)