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

Systemtic Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-cyanophenyl)methyl]-4-oxidanylidene-4-phenyl-but-2-enoate Openeye Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-cyanophenyl)methyl]-4-oxo-4-phenyl-but-2-enoate CAS Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-cyanophenyl)methyl]-4-oxo-4-phenyl-2-butenoate IUPAC Name: sodium (Z)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-cyanophenyl)methyl]-4-oxo-4-phenylbut-2-enoate Traditional Name: sodium (Z)-3-(4-cyanobenzyl)-4-keto-4-phenyl-2-piazthiol-5-yl-but-2-enoate Formula: C24H14N3NaO3S MolecularWeight: 447.44103

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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)C#N.[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)C#N.[Na+]

InChI

InChI=1S/C24H15N3O3S.Na/c25-14-16-8-6-15(7-9-16)12-19(23(28)17-4-2-1-3-5-17)22(24(29)30)18-10-11-20-21(13-18)27-31-26-20;/h1-11,13H,12H2,(H,29,30);/q;+1/p-1/b22-19-;