copper 5-methyl-2-phenyl-4-[(4-sulfamoylphenyl)diazenyl]pyrazol-3-olate

Systemtic Name: copper 5-methyl-2-phenyl-4-[(4-sulfamoylphenyl)diazenyl]pyrazol-3-olate Openeye Name: copper 5-methyl-2-phenyl-4-(4-sulfamoylphenyl)azo-pyrazol-3-olate CAS Name: copper 5-methyl-2-phenyl-4-(4-sulfamoylphenyl)azo-3-pyrazololate IUPAC Name: copper 5-methyl-2-phenyl-4-[(4-sulfamoylphenyl)diazenyl]pyrazol-3-olate Traditional Name: cupric 5-methyl-2-phenyl-4-(4-sulfamoylphenyl)azo-pyrazol-3-olate Formula: C32H28CuN10O6S2 MolecularWeight: 776.30412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=NC2=CC=C(C=C2)S(=O)(=O)N)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC=C(C=C2)S(=O)(=O)N)[O-])C3=CC=CC=C3.[Cu+2]

Isomeric SMILES

CC1=NN(C(=C1N=NC2=CC=C(C=C2)S(=O)(=O)N)[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=CC=C(C=C2)S(=O)(=O)N)[O-])C3=CC=CC=C3.[Cu+2]

InChI

InChI=1S/2C16H15N5O3S.Cu/c2*1-11-15(16(22)21(20-11)13-5-3-2-4-6-13)19-18-12-7-9-14(10-8-12)25(17,23)24;/h2*2-10,22H,1H3,(H2,17,23,24);/q;;+2/p-2