(2-chloranyl-6-fluoranyl-phenyl)methyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 4-(5-methylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoate CAS Name: 4-[5-(methylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Traditional Name: 4-[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoic acid (2-chloro-6-fluoro-benzyl) ester Formula: C17H12ClFN2O2S3 MolecularWeight: 426.935783

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H12ClFN2O2S3/c1-25-16-20-21(17(24)26-16)11-7-5-10(6-8-11)15(22)23-9-12-13(18)3-2-4-14(12)19/h2-8H,9H2,1H3