N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O2S/c19-13-7-5-12(6-8-13)11-25-10-9-20-18(24)16-14-3-1-2-4-15(14)17(23)22-21-16/h1-8H,9-11H2,(H,20,24)(H,22,23)