3-(4-chloranyl-2-fluoranyl-5-prop-2-ynylsulfanyl-phenyl)-5-cyclopropyl-1,3,4-thiadiazol-2-one

Systemtic Name: 3-(4-chloranyl-2-fluoranyl-5-prop-2-ynylsulfanyl-phenyl)-5-cyclopropyl-1,3,4-thiadiazol-2-one Openeye Name: 3-(4-chloro-2-fluoro-5-prop-2-ynylsulfanyl-phenyl)-5-cyclopropyl-1,3,4-thiadiazol-2-one CAS Name: 3-[4-chloro-2-fluoro-5-(prop-2-ynylthio)phenyl]-5-cyclopropyl-1,3,4-thiadiazol-2-one IUPAC Name: 3-(4-chloro-2-fluoro-5-prop-2-ynylsulfanylphenyl)-5-cyclopropyl-1,3,4-thiadiazol-2-one Traditional Name: 3-[4-chloro-2-fluoro-5-(propargylthio)phenyl]-5-cyclopropyl-1,3,4-thiadiazol-2-one Formula: C14H10ClFN2OS2 MolecularWeight: 340.823403

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=C(C=C(C(=C1)N2C(=O)SC(=N2)C3CC3)F)Cl

Isomeric SMILES

C#CCSC1=C(C=C(C(=C1)N2C(=O)SC(=N2)C3CC3)F)Cl

InChI

InChI=1S/C14H10ClFN2OS2/c1-2-5-20-12-7-11(10(16)6-9(12)15)18-14(19)21-13(17-18)8-3-4-8/h1,6-8H,3-5H2