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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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