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

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN3O2S/c1-23-19(25)16-5-3-2-4-15(16)17(22-23)18(24)21-10-11-26-12-13-6-8-14(20)9-7-13/h2-9H,10-12H2,1H3,(H,21,24)