1-(4-fluorophenyl)-4-[(3-nitrophenyl)methylsulfanyl]phthalazine

Systemtic Name: 1-(4-fluorophenyl)-4-[(3-nitrophenyl)methylsulfanyl]phthalazine Openeye Name: 1-(4-fluorophenyl)-4-[(3-nitrophenyl)methylsulfanyl]phthalazine CAS Name: 1-(4-fluorophenyl)-4-[(3-nitrophenyl)methylthio]phthalazine IUPAC Name: 1-(4-fluorophenyl)-4-[(3-nitrophenyl)methylsulfanyl]phthalazine Traditional Name: 1-(4-fluorophenyl)-4-[(3-nitrobenzyl)thio]phthalazine Formula: C21H14FN3O2S MolecularWeight: 391.418163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14FN3O2S/c22-16-10-8-15(9-11-16)20-18-6-1-2-7-19(18)21(24-23-20)28-13-14-4-3-5-17(12-14)25(26)27/h1-12H,13H2