3-[[2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[[2-[(4-chloranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[[2-[(4-chlorophenoxy)methyl]thiazol-4-yl]methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H14ClN3O4S MolecularWeight: 427.86086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CSC(=N3)COC4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CSC(=N3)COC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C20H14ClN3O4S/c21-12-5-7-14(8-6-12)28-10-17-22-13(11-29-17)9-24-19(25)16-4-2-1-3-15(16)18(23-24)20(26)27/h1-8,11H,9-10H2,(H,26,27)