2-[2,5-bis(chloranyl)phenyl]sulfanylethyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: 2-[2,5-bis(chloranyl)phenyl]sulfanylethyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: 2-(2,5-dichlorophenyl)sulfanylethyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid 2-[(2,5-dichlorophenyl)thio]ethyl ester IUPAC Name: 2-(2,5-dichlorophenyl)sulfanylethyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid 2-[(2,5-dichlorophenyl)thio]ethyl ester Formula: C17H12Cl2N2O3S MolecularWeight: 395.25978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12Cl2N2O3S/c18-10-5-6-13(19)14(9-10)25-8-7-24-17(23)15-11-3-1-2-4-12(11)16(22)21-20-15/h1-6,9H,7-8H2,(H,21,22)