N-[2-(4-methylphenyl)sulfanylethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-3-propyl-N-[2-(p-tolylsulfanyl)ethyl]phthalazine-1-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-3-propyl-N-[2-(p-tolylthio)ethyl]phthalazine-1-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H23N3O2S/c1-3-13-24-21(26)18-7-5-4-6-17(18)19(23-24)20(25)22-12-14-27-16-10-8-15(2)9-11-16/h4-11H,3,12-14H2,1-2H3,(H,22,25)