sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-nitrophenyl)methyl]-4-oxidanylidene-4-phenyl-but-2-enoate

Systemtic Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-nitrophenyl)methyl]-4-oxidanylidene-4-phenyl-but-2-enoate Openeye Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-nitrophenyl)methyl]-4-oxo-4-phenyl-but-2-enoate CAS Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-nitrophenyl)methyl]-4-oxo-4-phenyl-2-butenoate IUPAC Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-nitrophenyl)methyl]-4-oxo-4-phenylbut-2-enoate Traditional Name: sodium (Z)-4-keto-3-(4-nitrobenzyl)-4-phenyl-2-piazthiol-5-yl-but-2-enoate Formula: C23H14N3NaO5S MolecularWeight: 467.42913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=C(C2=CC3=NSN=C3C=C2)C(=O)[O-])CC4=CC=C(C=C4)[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=NSN=C3C=C2)\C(=O)[O-])/CC4=CC=C(C=C4)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C23H15N3O5S.Na/c27-22(15-4-2-1-3-5-15)18(12-14-6-9-17(10-7-14)26(30)31)21(23(28)29)16-8-11-19-20(13-16)25-32-24-19;/h1-11,13H,12H2,(H,28,29);/q;+1/p-1/b21-18-;