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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[2-(p-tolylsulfanyl)ethyl]phthalazine-1-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[2-(4-methylphenyl)sulfanylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[2-(p-tolylthio)ethyl]phthalazine-1-carboxamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-18-11-13-20(14-12-18)31-16-15-26-24(29)23-21-9-5-6-10-22(21)25(30)28(27-23)17-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,26,29)