3-[2-[(4-cyclopentylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[(4-cyclopentylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-(4-cyclopentylsulfanylanilino)-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[4-(cyclopentylthio)anilino]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-(4-cyclopentylsulfanylanilino)-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-[4-(cyclopentylthio)anilino]-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C21H20N3O3S- MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C21H21N3O3S/c25-19(13-24-21(27)18-8-4-3-7-17(18)20(26)23-24)22-14-9-11-16(12-10-14)28-15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13H2,(H,22,25)(H,23,26)/p-1