sodium 5-methyl-4-(4-nitro-2,1,3-benzothiadiazol-7-yl)-2-phenyl-4H-pyrazol-3-one

Systemtic Name: sodium 5-methyl-4-(4-nitro-2,1,3-benzothiadiazol-7-yl)-2-phenyl-4H-pyrazol-3-one Openeye Name: sodium 5-methyl-4-(4-nitro-2,1,3-benzothiadiazol-7-yl)-2-phenyl-4H-pyrazol-3-one CAS Name: sodium 5-methyl-4-(4-nitro-2,1,3-benzothiadiazol-7-yl)-2-phenyl-4H-pyrazol-3-one IUPAC Name: sodium 5-methyl-4-(4-nitro-2,1,3-benzothiadiazol-7-yl)-2-phenyl-4H-pyrazol-3-one Traditional Name: sodium 5-methyl-4-(7-nitropiazthiol-4-yl)-2-phenyl-2-pyrazolin-3-one Formula: C16H11N5NaO3S+ MolecularWeight: 376.34501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C2=CC=C(C3=NSN=C23)[N+](=O)[O-])C4=CC=CC=C4.[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1C2=CC=C(C3=NSN=C23)[N+](=O)[O-])C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C16H11N5O3S.Na/c1-9-13(16(22)20(17-9)10-5-3-2-4-6-10)11-7-8-12(21(23)24)15-14(11)18-25-19-15;/h2-8,13H,1H3;/q;+1