2-[4-oxidanylidene-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-oxidanylidene-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]phthalazin-1-yl]ethanoic acid Openeye Name: 2-[4-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]phthalazin-1-yl]acetic acid CAS Name: 2-[4-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]-1-phthalazinyl]acetic acid IUPAC Name: 2-[4-oxo-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]phthalazin-1-yl]acetic acid Traditional Name: 2-[4-keto-3-[(3-phenyl-1,2,4-thiadiazol-5-yl)methyl]phthalazin-1-yl]acetic acid Formula: C19H14N4O3S MolecularWeight: 378.40446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NSC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NSC(=N2)CN3C(=O)C4=CC=CC=C4C(=N3)CC(=O)O

InChI

InChI=1S/C19H14N4O3S/c24-17(25)10-15-13-8-4-5-9-14(13)19(26)23(21-15)11-16-20-18(22-27-16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,24,25)