2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-pyrrol-1-yl-1,3,4-thiadiazole

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-pyrrol-1-yl-1,3,4-thiadiazole Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-pyrrol-1-yl-1,3,4-thiadiazole CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-5-(1-pyrrolyl)-1,3,4-thiadiazole IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrol-1-yl-1,3,4-thiadiazole Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-5-pyrrol-1-yl-1,3,4-thiadiazole Formula: C13H9ClFN3S2 MolecularWeight: 325.812063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=NN=C(S2)SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1=CN(C=C1)C2=NN=C(S2)SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C13H9ClFN3S2/c14-10-4-3-5-11(15)9(10)8-19-13-17-16-12(20-13)18-6-1-2-7-18/h1-7H,8H2