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

Systemtic Name: 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(2-methylthiazol-4-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(2-methyl-4-thiazolyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(2-methylthiazol-4-yl)methyl]phthalazine-1-carboxylic acid Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC1=NC(=CS1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C14H11N3O3S/c1-8-15-9(7-21-8)6-17-13(18)11-5-3-2-4-10(11)12(16-17)14(19)20/h2-5,7H,6H2,1H3,(H,19,20)