3-(2-chloranyl-4-fluoranyl-5-prop-2-ynoxy-phenyl)-5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-one

Systemtic Name: 3-(2-chloranyl-4-fluoranyl-5-prop-2-ynoxy-phenyl)-5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-one Openeye Name: 3-(2-chloro-4-fluoro-5-prop-2-ynoxy-phenyl)-5-(1,1-dimethylpropyl)-1,3,4-thiadiazol-2-one CAS Name: 3-(2-chloro-4-fluoro-5-prop-2-ynoxyphenyl)-5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-one IUPAC Name: 3-(2-chloro-4-fluoro-5-prop-2-ynoxyphenyl)-5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-one Traditional Name: 5-tert-amyl-3-(2-chloro-4-fluoro-5-propargyloxy-phenyl)-1,3,4-thiadiazol-2-one Formula: C16H16ClFN2O2S MolecularWeight: 354.826843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=NN(C(=O)S1)C2=CC(=C(C=C2Cl)F)OCC#C

Isomeric SMILES

CCC(C)(C)C1=NN(C(=O)S1)C2=CC(=C(C=C2Cl)F)OCC#C

InChI

InChI=1S/C16H16ClFN2O2S/c1-5-7-22-13-9-12(10(17)8-11(13)18)20-15(21)23-14(19-20)16(3,4)6-2/h1,8-9H,6-7H2,2-4H3