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

Systemtic Name: 3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(2-ethylthiazol-4-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(2-ethyl-4-thiazolyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(2-ethylthiazol-4-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CCC1=NC(=CS1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C15H13N3O3S/c1-2-12-16-9(8-22-12)7-18-14(19)11-6-4-3-5-10(11)13(17-18)15(20)21/h3-6,8H,2,7H2,1H3,(H,20,21)