[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-[3-(2-furanyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-[5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C21H17ClN2O4S2 MolecularWeight: 460.95368

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C21H17ClN2O4S2/c1-29-13-6-7-15(22)14(10-13)21(26)28-12-20(25)24-17(18-4-2-8-27-18)11-16(23-24)19-5-3-9-30-19/h2-10,17H,11-12H2,1H3