sodium 4-[(2-methoxy-4-oxidanidylsulfonothioyloxy-phenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: sodium 4-[(2-methoxy-4-oxidanidylsulfonothioyloxy-phenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: sodium 4-(2-methoxy-4-oxidosulfonothioyloxy-phenyl)azo-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: sodium 4-(2-methoxy-4-oxidosulfonothioyloxyphenyl)azo-5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: sodium 4-[(2-methoxy-4-oxidosulfonothioyloxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: sodium 4-(2-methoxy-4-oxidosulfonothioyloxy-phenyl)azo-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C17H15N4NaO5S2 MolecularWeight: 442.44457

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)OS(=O)(=S)[O-])OC)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)OS(=O)(=S)[O-])OC)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C17H16N4O5S2.Na/c1-11-16(17(22)21(20-11)12-6-4-3-5-7-12)19-18-14-9-8-13(10-15(14)25-2)26-28(23,24)27;/h3-10,16H,1-2H3,(H,23,24,27);/q;+1/p-1