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

Systemtic Name: 2-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(3R)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(5R)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C21H15N3O3S2 MolecularWeight: 421.4921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CS2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5

InChI

InChI=1S/C21H15N3O3S2/c25-19(12-23-20(26)13-5-1-2-6-14(13)21(23)27)24-16(18-8-4-10-29-18)11-15(22-24)17-7-3-9-28-17/h1-10,16H,11-12H2/t16-/m1/s1