4-oxidanylidene-3-[3-oxidanylidene-3-[2-(phenylmethylsulfanyl)ethylamino]propyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[3-oxidanylidene-3-[2-(phenylmethylsulfanyl)ethylamino]propyl]phthalazin-1-olate Openeye Name: 3-[3-(2-benzylsulfanylethylamino)-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 4-oxo-3-[3-oxo-3-[2-(phenylmethylthio)ethylamino]propyl]-1-phthalazinolate IUPAC Name: 3-[3-(2-benzylsulfanylethylamino)-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 3-[3-[2-(benzylthio)ethylamino]-3-keto-propyl]-4-keto-phthalazin-1-olate Formula: C20H20N3O3S- MolecularWeight: 382.4561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)CCN2C(=O)C3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C20H21N3O3S/c24-18(21-11-13-27-14-15-6-2-1-3-7-15)10-12-23-20(26)17-9-5-4-8-16(17)19(25)22-23/h1-9H,10-14H2,(H,21,24)(H,22,25)/p-1