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

Systemtic Name: 4-[(2-methoxy-4-oxidanylsulfonothioyloxy-phenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: 4-(4-hydroxysulfonothioyloxy-2-methoxy-phenyl)azo-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: 4-(4-hydroxysulfonothioyloxy-2-methoxyphenyl)azo-5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: 4-[(4-hydroxysulfonothioyloxy-2-methoxyphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: 4-(4-hydroxysulfonothioyloxy-2-methoxy-phenyl)azo-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C17H16N4O5S2 MolecularWeight: 420.46274

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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

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)OS(=O)(=S)O)OC)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O5S2/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)