copper 4-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]diazenyl]-5-methyl-2-phenyl-pyrazol-3-olate

Systemtic Name: copper 4-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]diazenyl]-5-methyl-2-phenyl-pyrazol-3-olate Openeye Name: copper 4-[4-[(4,5-dimethyloxazol-2-yl)sulfamoyl]phenyl]azo-5-methyl-2-phenyl-pyrazol-3-olate CAS Name: copper 4-[4-[(4,5-dimethyl-2-oxazolyl)sulfamoyl]phenyl]azo-5-methyl-2-phenyl-3-pyrazololate IUPAC Name: copper 4-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfamoyl]phenyl]diazenyl]-5-methyl-2-phenylpyrazol-3-olate Traditional Name: cupric 4-[4-[(4,5-dimethyloxazol-2-yl)sulfamoyl]phenyl]azo-5-methyl-2-phenyl-pyrazol-3-olate Formula: C42H38CuN12O8S2 MolecularWeight: 966.50272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H20N6O4S.Cu/c2*1-13-15(3)31-21(22-13)26-32(29,30)18-11-9-16(10-12-18)23-24-19-14(2)25-27(20(19)28)17-7-5-4-6-8-17;/h2*4-12,28H,1-3H3,(H,22,26);/q;;+2/p-2