N-[1-(4-methylsulfanylphenyl)ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[1-(4-methylsulfanylphenyl)ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[1-(4-methylsulfanylphenyl)ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-[4-(methylthio)phenyl]ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[1-(4-methylsulfanylphenyl)ethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[1-[4-(methylthio)phenyl]ethyl]phthalazine-1-carboxamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c1-17(19-12-14-20(31-2)15-13-19)26-24(29)23-21-10-6-7-11-22(21)25(30)28(27-23)16-18-8-4-3-5-9-18/h3-15,17H,16H2,1-2H3,(H,26,29)