4-[(2-bromanyl-4-nitro-phenyl)diazenyl]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4H-pyrazol-3-one

Systemtic Name: 4-[(2-bromanyl-4-nitro-phenyl)diazenyl]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4H-pyrazol-3-one Openeye Name: 4-(2-bromo-4-nitro-phenyl)azo-5-methyl-2-[4-(3-nitrophenyl)thiazol-2-yl]-4H-pyrazol-3-one CAS Name: 4-(2-bromo-4-nitrophenyl)azo-5-methyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-4H-pyrazol-3-one IUPAC Name: 4-[(2-bromo-4-nitrophenyl)diazenyl]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4H-pyrazol-3-one Traditional Name: 4-(2-bromo-4-nitro-phenyl)azo-5-methyl-2-[4-(3-nitrophenyl)thiazol-2-yl]-2-pyrazolin-3-one Formula: C19H12BrN7O5S MolecularWeight: 530.31148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br)C3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H12BrN7O5S/c1-10-17(23-22-15-6-5-13(27(31)32)8-14(15)20)18(28)25(24-10)19-21-16(9-33-19)11-3-2-4-12(7-11)26(29)30/h2-9,17H,1H3