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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C20H18N4O2S/c1-24-20(26)17-9-5-4-8-16(17)18(23-24)19(25)22-10-11-27-13-15-7-3-2-6-14(15)12-21/h2-9H,10-11,13H2,1H3,(H,22,25)