cobalt(2+); 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]diazenyl]-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: cobalt(2+); 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]diazenyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: cobaltous 4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]azo-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: cobalt(2+); 4-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]azo-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: cobalt(2+); 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]diazenyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: cobaltous 4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]azo-5-methyl-2-phenyl-pyrazol-3-olate Formula: C44H40CoN14O6S2 MolecularWeight: 983.9418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(N(N=C3C)C4=CC=CC=C4)[O-])C.CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(N(N=C3C)C4=CC=CC=C4)[O-])C.[Co+2]

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(N(N=C3C)C4=CC=CC=C4)[O-])C.CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(N(N=C3C)C4=CC=CC=C4)[O-])C.[Co+2]

InChI

InChI=1S/2C22H21N7O3S.Co/c2*1-14-13-15(2)24-22(23-14)28-33(31,32)19-11-9-17(10-12-19)25-26-20-16(3)27-29(21(20)30)18-7-5-4-6-8-18;/h2*4-13,30H,1-3H3,(H,23,24,28);/q;;+2/p-2