[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate

Systemtic Name: [2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxidanylidene-ethyl] 3-fluoranyl-4-methyl-benzoate Openeye Name: [2-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-fluoro-4-methyl-benzoate CAS Name: 3-fluoro-4-methylbenzoic 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] 3-fluoro-4-methylbenzoate Traditional Name: 3-fluoro-4-methyl-benzoic acid [2-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C21H17FN2O3S2 MolecularWeight: 428.499683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)F

InChI

InChI=1S/C21H17FN2O3S2/c1-13-6-7-14(10-15(13)22)21(26)27-12-20(25)24-17(19-5-3-9-29-19)11-16(23-24)18-4-2-8-28-18/h2-10,17H,11-12H2,1H3