4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2H-phthalazine-1-thione

Systemtic Name: 4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2H-phthalazine-1-thione Openeye Name: 4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2H-phthalazine-1-thione CAS Name: 4-[4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2H-phthalazine-1-thione IUPAC Name: 4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-2H-phthalazine-1-thione Traditional Name: 4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]-2H-phthalazine-1-thione Formula: C20H23N4O2S2+ MolecularWeight: 415.55222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=S)C3=CC=CC=C32)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=S)C3=CC=CC=C32)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C20H22N4O2S2/c1-14-7-8-15(19-16-5-3-4-6-17(16)20(27)22-21-19)13-18(14)28(25,26)24-11-9-23(2)10-12-24/h3-8,13H,9-12H2,1-2H3,(H,22,27)/p+1