2-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C21H14N4O5S2 MolecularWeight: 466.48966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C21H14N4O5S2/c26-18(11-23-20(27)12-4-1-5-14(25(29)30)19(12)21(23)28)24-15(17-7-3-9-32-17)10-13(22-24)16-6-2-8-31-16/h1-9,15H,10-11H2