2-[[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]methyl]phthalazine-1-thione

Systemtic Name: 2-[[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]methyl]phthalazine-1-thione Openeye Name: 2-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]phthalazine-1-thione CAS Name: 2-[[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]methyl]-1-phthalazinethione IUPAC Name: 2-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methyl]phthalazine-1-thione Traditional Name: 2-[[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazino]methyl]phthalazine-1-thione Formula: C20H19F3N4O3S2 MolecularWeight: 484.51507

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)C3=CC=CC=C3C=N2)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1CN(CCN1CN2C(=S)C3=CC=CC=C3C=N2)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C20H19F3N4O3S2/c21-20(22,23)30-16-5-7-17(8-6-16)32(28,29)26-11-9-25(10-12-26)14-27-19(31)18-4-2-1-3-15(18)13-24-27/h1-8,13H,9-12,14H2