methyl 2-[(3-ethoxy-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)carbonylamino]peroxysulfanyl-3-fluoranyl-benzoate

Systemtic Name: methyl 2-[(3-ethoxy-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)carbonylamino]peroxysulfanyl-3-fluoranyl-benzoate Openeye Name: methyl 2-[(3-ethoxy-4-methyl-5-thioxo-1,2,4-triazole-1-carbonyl)amino]peroxysulfanyl-3-fluoro-benzoate CAS Name: 2-[[[(3-ethoxy-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)-oxomethyl]amino]dioxythio]-3-fluorobenzoic acid methyl ester IUPAC Name: methyl 2-[(3-ethoxy-4-methyl-5-sulfanylidene-1,2,4-triazole-1-carbonyl)amino]peroxysulfanyl-3-fluorobenzoate Traditional Name: 2-[[(3-ethoxy-4-methyl-5-thioxo-1,2,4-triazole-1-carbonyl)amino]peroxythio]-3-fluoro-benzoic acid methyl ester Formula: C14H15FN4O6S2 MolecularWeight: 418.420503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=S)N1C)C(=O)NOOSC2=C(C=CC=C2F)C(=O)OC

Isomeric SMILES

CCOC1=NN(C(=S)N1C)C(=O)NOOSC2=C(C=CC=C2F)C(=O)OC

InChI

InChI=1S/C14H15FN4O6S2/c1-4-23-13-16-19(14(26)18(13)2)12(21)17-24-25-27-10-8(11(20)22-3)6-5-7-9(10)15/h5-7H,4H2,1-3H3,(H,17,21)