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

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 2-bromanylbenzoate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic 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] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C20H15BrN2O3S2 MolecularWeight: 475.3787

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=CC=CC=C3Br)C4=CC=CS4

Isomeric SMILES

C1C(N(N=C1C2=CC=CS2)C(=O)COC(=O)C3=CC=CC=C3Br)C4=CC=CS4

InChI

InChI=1S/C20H15BrN2O3S2/c21-14-6-2-1-5-13(14)20(25)26-12-19(24)23-16(18-8-4-10-28-18)11-15(22-23)17-7-3-9-27-17/h1-10,16H,11-12H2