2-(1,3-benzothiazol-2-yl)-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-5-phenyl-pyrazol-3-olate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-5-phenyl-pyrazol-3-olate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-5-phenyl-pyrazol-3-olate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]-5-phenyl-3-pyrazololate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-5-phenylpyrazol-3-olate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-5-phenyl-pyrazol-3-olate Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)N=CC2=C(N(N=C2C3=CC=CC=C3)C4=NC5=CC=CC=C5S4)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)/N=C\C2=C(N(N=C2C3=CC=CC=C3)C4=NC5=CC=CC=C5S4)[O-]

InChI

InChI=1S/C22H22N6OS/c1-26-11-13-27(14-12-26)23-15-17-20(16-7-3-2-4-8-16)25-28(21(17)29)22-24-18-9-5-6-10-19(18)30-22/h2-10,15,29H,11-14H2,1H3/b23-15-