5-isocyano-4-[(4-methylsulfonylphenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one

Systemtic Name: 5-isocyano-4-[(4-methylsulfonylphenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one Openeye Name: 5-isocyano-4-(4-methylsulfonylphenyl)azo-2-phenyl-4H-pyrazol-3-one CAS Name: 5-isocyano-4-(4-methylsulfonylphenyl)azo-2-phenyl-4H-pyrazol-3-one IUPAC Name: 5-isocyano-4-[(4-methylsulfonylphenyl)diazenyl]-2-phenyl-4H-pyrazol-3-one Traditional Name: 5-isocyano-4-(4-mesylphenyl)azo-2-phenyl-2-pyrazolin-3-one Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)[N+]#[C-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)[N+]#[C-]

InChI

InChI=1S/C17H13N5O3S/c1-18-16-15(17(23)22(21-16)13-6-4-3-5-7-13)20-19-12-8-10-14(11-9-12)26(2,24)25/h3-11,15H,2H3