4-oxidanylidene-3-(phenylmethyl)-N-(3-phenylsulfanylpropyl)phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-(3-phenylsulfanylpropyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-(3-phenylsulfanylpropyl)phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[3-(phenylthio)propyl]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-(3-phenylsulfanylpropyl)phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[3-(phenylthio)propyl]phthalazine-1-carboxamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCCSC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCCSC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O2S/c29-24(26-16-9-17-31-20-12-5-2-6-13-20)23-21-14-7-8-15-22(21)25(30)28(27-23)18-19-10-3-1-4-11-19/h1-8,10-15H,9,16-18H2,(H,26,29)