5-[3-(2-imidazol-1-ylethyl)-4-oxidanylidene-phthalazin-1-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-(2-imidazol-1-ylethyl)-4-oxidanylidene-phthalazin-1-yl]thiophene-2-carboxylic acid Openeye Name: 5-[3-(2-imidazol-1-ylethyl)-4-oxo-phthalazin-1-yl]thiophene-2-carboxylic acid CAS Name: 5-[3-[2-(1-imidazolyl)ethyl]-4-oxo-1-phthalazinyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-(2-imidazol-1-ylethyl)-4-oxophthalazin-1-yl]thiophene-2-carboxylic acid Traditional Name: 5-[3-(2-imidazol-1-ylethyl)-4-keto-phthalazin-1-yl]-2-thenoic acid Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C=CN=C3)C4=CC=C(S4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCN3C=CN=C3)C4=CC=C(S4)C(=O)O

InChI

InChI=1S/C18H14N4O3S/c23-17-13-4-2-1-3-12(13)16(14-5-6-15(26-14)18(24)25)20-22(17)10-9-21-8-7-19-11-21/h1-8,11H,9-10H2,(H,24,25)