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

Systemtic Name: 5-tert-butyl-3-(5-but-3-yn-2-ylsulfanyl-4-chloranyl-2-fluoranyl-phenyl)-1,3,4-thiadiazol-2-one Openeye Name: 5-tert-butyl-3-[4-chloro-2-fluoro-5-(1-methylprop-2-ynylsulfanyl)phenyl]-1,3,4-thiadiazol-2-one CAS Name: 5-tert-butyl-3-[5-(but-3-yn-2-ylthio)-4-chloro-2-fluorophenyl]-1,3,4-thiadiazol-2-one IUPAC Name: 5-tert-butyl-3-(5-but-3-yn-2-ylsulfanyl-4-chloro-2-fluorophenyl)-1,3,4-thiadiazol-2-one Traditional Name: 5-tert-butyl-3-[4-chloro-2-fluoro-5-(1-methylprop-2-ynylthio)phenyl]-1,3,4-thiadiazol-2-one Formula: C16H16ClFN2OS2 MolecularWeight: 370.892443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)SC1=C(C=C(C(=C1)N2C(=O)SC(=N2)C(C)(C)C)F)Cl

Isomeric SMILES

CC(C#C)SC1=C(C=C(C(=C1)N2C(=O)SC(=N2)C(C)(C)C)F)Cl

InChI

InChI=1S/C16H16ClFN2OS2/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