4-(4-fluorophenyl)-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]phthalazine-1-thione

Systemtic Name: 4-(4-fluorophenyl)-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]phthalazine-1-thione Openeye Name: 4-(4-fluorophenyl)-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]phthalazine-1-thione CAS Name: 4-(4-fluorophenyl)-2-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]-1-phthalazinethione IUPAC Name: 4-(4-fluorophenyl)-2-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]phthalazine-1-thione Traditional Name: 4-(4-fluorophenyl)-2-[(4-mesylpiperazin-1-ium-1-yl)methyl]phthalazine-1-thione Formula: C20H22FN4O2S2+ MolecularWeight: 433.542683

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CN2C(=S)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CN2C(=S)C3=CC=CC=C3C(=N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN4O2S2/c1-29(26,27)24-12-10-23(11-13-24)14-25-20(28)18-5-3-2-4-17(18)19(22-25)15-6-8-16(21)9-7-15/h2-9H,10-14H2,1H3/p+1