1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[[6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-3-pyridyl]sulfonyl]piperazin-1-ium CAS Name: 1-methyl-4-[[6-[[4-(1-pyrazolyl)phenyl]methylthio]-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[6-[(4-pyrazol-1-ylphenyl)methylsulfanyl]pyridin-3-yl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[[6-[(4-pyrazol-1-ylbenzyl)thio]-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C20H24N5O2S2+ MolecularWeight: 430.56686

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H23N5O2S2/c1-23-11-13-24(14-12-23)29(26,27)19-7-8-20(21-15-19)28-16-17-3-5-18(6-4-17)25-10-2-9-22-25/h2-10,15H,11-14,16H2,1H3/p+1