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

Systemtic Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-methylphenyl)methyl]-4-oxidanylidene-4-phenyl-but-2-enoate Openeye Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-4-oxo-4-phenyl-3-(p-tolylmethyl)but-2-enoate CAS Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-methylphenyl)methyl]-4-oxo-4-phenyl-2-butenoate IUPAC Name: sodium (E)-2-(2,1,3-benzothiadiazol-5-yl)-3-[(4-methylphenyl)methyl]-4-oxo-4-phenylbut-2-enoate Traditional Name: sodium (E)-4-keto-3-(4-methylbenzyl)-4-phenyl-2-piazthiol-5-yl-but-2-enoate Formula: C24H17N2NaO3S MolecularWeight: 436.45815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=C(C2=CC3=NSN=C3C=C2)C(=O)[O-])C(=O)C4=CC=CC=C4.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C/C(=C(/C2=CC3=NSN=C3C=C2)\C(=O)[O-])/C(=O)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C24H18N2O3S.Na/c1-15-7-9-16(10-8-15)13-19(23(27)17-5-3-2-4-6-17)22(24(28)29)18-11-12-20-21(14-18)26-30-25-20;/h2-12,14H,13H2,1H3,(H,28,29);/q;+1/p-1/b22-19+;