[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C19H14BrN3O3S2 MolecularWeight: 476.36676

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=CC(=CN=C3)Br)C4=CC=CS4

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=CC(=CN=C3)Br)C4=CC=CS4

InChI

InChI=1S/C19H14BrN3O3S2/c20-13-7-12(9-21-10-13)19(25)26-11-18(24)23-15(17-4-2-6-28-17)8-14(22-23)16-3-1-5-27-16/h1-7,9-10,15H,8,11H2