propan-2-yl 2-chloranyl-4-fluoranyl-5-(1-methyl-3-oxidanylidene-5-sulfanylidene-1,2,4-triazolidin-4-yl)benzoate

Systemtic Name: propan-2-yl 2-chloranyl-4-fluoranyl-5-(1-methyl-3-oxidanylidene-5-sulfanylidene-1,2,4-triazolidin-4-yl)benzoate Openeye Name: isopropyl 2-chloro-4-fluoro-5-(1-methyl-3-oxo-5-thioxo-1,2,4-triazolidin-4-yl)benzoate CAS Name: 2-chloro-4-fluoro-5-(1-methyl-3-oxo-5-sulfanylidene-1,2,4-triazolidin-4-yl)benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-chloro-4-fluoro-5-(1-methyl-3-oxo-5-sulfanylidene-1,2,4-triazolidin-4-yl)benzoate Traditional Name: 2-chloro-4-fluoro-5-(3-keto-1-methyl-5-thioxo-1,2,4-triazolidin-4-yl)benzoic acid isopropyl ester Formula: C13H13ClFN3O3S MolecularWeight: 345.777023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=C(C=C1Cl)F)N2C(=O)NN(C2=S)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=C(C=C1Cl)F)N2C(=O)NN(C2=S)C

InChI

InChI=1S/C13H13ClFN3O3S/c1-6(2)21-11(19)7-4-10(9(15)5-8(7)14)18-12(20)16-17(3)13(18)22/h4-6H,1-3H3,(H,16,20)