5-tert-butyl-3-(5-but-3-yn-2-yloxy-2-chloranyl-4-fluoranyl-phenyl)-1,3,4-thiadiazol-2-one

Systemtic Name: 5-tert-butyl-3-(5-but-3-yn-2-yloxy-2-chloranyl-4-fluoranyl-phenyl)-1,3,4-thiadiazol-2-one Openeye Name: 5-tert-butyl-3-[2-chloro-4-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-1,3,4-thiadiazol-2-one CAS Name: 5-tert-butyl-3-(5-but-3-yn-2-yloxy-2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-one IUPAC Name: 5-tert-butyl-3-(5-but-3-yn-2-yloxy-2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-one Traditional Name: 5-tert-butyl-3-[2-chloro-4-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-1,3,4-thiadiazol-2-one Formula: C16H16ClFN2O2S MolecularWeight: 354.826843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)OC1=C(C=C(C(=C1)N2C(=O)SC(=N2)C(C)(C)C)Cl)F

Isomeric SMILES

CC(C#C)OC1=C(C=C(C(=C1)N2C(=O)SC(=N2)C(C)(C)C)Cl)F

InChI

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