2-[2,5-bis(chloranyl)phenyl]sulfanylethyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]sulfanylethyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: 2-(2,5-dichlorophenyl)sulfanylethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid 2-[(2,5-dichlorophenyl)thio]ethyl ester IUPAC Name: 2-(2,5-dichlorophenyl)sulfanylethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid 2-[(2,5-dichlorophenyl)thio]ethyl ester Formula: C18H14Cl2N2O3S MolecularWeight: 409.28636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCCSC3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCCSC3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O3S/c19-11-5-6-14(20)16(9-11)26-8-7-25-17(23)10-15-12-3-1-2-4-13(12)18(24)22-21-15/h1-6,9H,7-8,10H2,(H,22,24)