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

Systemtic Name: 3-(5-but-3-yn-2-ylsulfanyl-4-chloranyl-2-fluoranyl-phenyl)-5-cyclopropyl-1,3,4-thiadiazol-2-one Openeye Name: 3-[4-chloro-2-fluoro-5-(1-methylprop-2-ynylsulfanyl)phenyl]-5-cyclopropyl-1,3,4-thiadiazol-2-one CAS Name: 3-[5-(but-3-yn-2-ylthio)-4-chloro-2-fluorophenyl]-5-cyclopropyl-1,3,4-thiadiazol-2-one IUPAC Name: 3-(5-but-3-yn-2-ylsulfanyl-4-chloro-2-fluorophenyl)-5-cyclopropyl-1,3,4-thiadiazol-2-one Traditional Name: 3-[4-chloro-2-fluoro-5-(1-methylprop-2-ynylthio)phenyl]-5-cyclopropyl-1,3,4-thiadiazol-2-one Formula: C15H12ClFN2OS2 MolecularWeight: 354.849983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)SC1=C(C=C(C(=C1)N2C(=O)SC(=N2)C3CC3)F)Cl

Isomeric SMILES

CC(C#C)SC1=C(C=C(C(=C1)N2C(=O)SC(=N2)C3CC3)F)Cl

InChI

InChI=1S/C15H12ClFN2OS2/c1-3-8(2)21-13-7-12(11(17)6-10(13)16)19-15(20)22-14(18-19)9-4-5-9/h1,6-9H,4-5H2,2H3