5-methyl-4-[(4-methylsulfonyl-2-nitro-phenyl)diazenyl]-2-phenyl-4H-pyrazol-3-imine

Systemtic Name: 5-methyl-4-[(4-methylsulfonyl-2-nitro-phenyl)diazenyl]-2-phenyl-4H-pyrazol-3-imine Openeye Name: 5-methyl-4-(4-methylsulfonyl-2-nitro-phenyl)azo-2-phenyl-4H-pyrazol-3-imine CAS Name: 5-methyl-4-(4-methylsulfonyl-2-nitrophenyl)azo-2-phenyl-4H-pyrazol-3-imine IUPAC Name: 5-methyl-4-[(4-methylsulfonyl-2-nitrophenyl)diazenyl]-2-phenyl-4H-pyrazol-3-imine Traditional Name: [4-(4-mesyl-2-nitro-phenyl)azo-5-methyl-2-phenyl-2-pyrazolin-3-ylidene]amine Formula: C17H16N6O4S MolecularWeight: 400.41174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O4S/c1-11-16(17(18)22(21-11)12-6-4-3-5-7-12)20-19-14-9-8-13(28(2,26)27)10-15(14)23(24)25/h3-10,16,18H,1-2H3