5-[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]-4-oxidanylidene-3H-phthalazin-1-olate

Systemtic Name: 5-[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[[(1S)-1-(5-methyl-2-thienyl)ethyl]amino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[[(1S)-1-(5-methyl-2-thiophenyl)ethyl]amino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 4-keto-5-[[(1S)-1-(5-methyl-2-thienyl)ethyl]amino]-3H-phthalazin-1-olate Formula: C15H14N3O2S- MolecularWeight: 300.35556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C)NC2=CC=CC3=C2C(=O)NN=C3[O-]

Isomeric SMILES

CC1=CC=C(S1)[C@H](C)NC2=CC=CC3=C2C(=O)NN=C3[O-]

InChI

InChI=1S/C15H15N3O2S/c1-8-6-7-12(21-8)9(2)16-11-5-3-4-10-13(11)15(20)18-17-14(10)19/h3-7,9,16H,1-2H3,(H,17,19)(H,18,20)/p-1/t9-/m0/s1