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

Systemtic Name: 3-(4-bromanyl-5-but-3-yn-2-yloxy-2-chloranyl-phenyl)-5-tert-butyl-1,3,4-thiadiazol-2-one Openeye Name: 3-[4-bromo-2-chloro-5-(1-methylprop-2-ynoxy)phenyl]-5-tert-butyl-1,3,4-thiadiazol-2-one CAS Name: 3-(4-bromo-5-but-3-yn-2-yloxy-2-chlorophenyl)-5-tert-butyl-1,3,4-thiadiazol-2-one IUPAC Name: 3-(4-bromo-5-but-3-yn-2-yloxy-2-chlorophenyl)-5-tert-butyl-1,3,4-thiadiazol-2-one Traditional Name: 3-[4-bromo-2-chloro-5-(1-methylprop-2-ynoxy)phenyl]-5-tert-butyl-1,3,4-thiadiazol-2-one Formula: C16H16BrClN2O2S MolecularWeight: 415.73244

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrClN2O2S/c1-6-9(2)22-13-8-12(11(18)7-10(13)17)20-15(21)23-14(19-20)16(3,4)5/h1,7-9H,2-5H3