2-[3-[2-[(3-chlorophenyl)amino]-2-sulfanylidene-ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[2-[(3-chlorophenyl)amino]-2-sulfanylidene-ethyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[2-(3-chloroanilino)-2-thioxo-ethyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[2-(3-chloroanilino)-2-sulfanylideneethyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[2-(3-chloroanilino)-2-sulfanylideneethyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-[2-(3-chloroanilino)-2-thioxo-ethyl]-4-keto-phthalazin-1-yl]acetic acid Formula: C18H14ClN3O3S MolecularWeight: 387.84006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=S)NC3=CC(=CC=C3)Cl)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=S)NC3=CC(=CC=C3)Cl)CC(=O)O

InChI

InChI=1S/C18H14ClN3O3S/c19-11-4-3-5-12(8-11)20-16(26)10-22-18(25)14-7-2-1-6-13(14)15(21-22)9-17(23)24/h1-8H,9-10H2,(H,20,26)(H,23,24)