4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[4-(4-fluorophenyl)-1-phthalazinyl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[4-(4-fluorophenyl)phthalazin-1-yl]thio]methyl]-3-nitro-benzamide Formula: C22H15FN4O3S MolecularWeight: 434.442903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

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