3-[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[2-(4-chlorophenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[2-[(4-chlorophenyl)thio]anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[2-[(4-chlorophenyl)thio]anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H16ClN3O4S MolecularWeight: 465.90884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C23H16ClN3O4S/c24-14-9-11-15(12-10-14)32-19-8-4-3-7-18(19)25-20(28)13-27-22(29)17-6-2-1-5-16(17)21(26-27)23(30)31/h1-12H,13H2,(H,25,28)(H,30,31)