3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-ethyl-4-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-ethyl-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-ethyl-4-isopropyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-5-ethyl-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-ethyl-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-fluoro-benzyl)thio]-5-ethyl-4-isopropyl-1,2,4-triazole Formula: C14H17ClFN3S MolecularWeight: 313.821283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C(C)C)SCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CCC1=NN=C(N1C(C)C)SCC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C14H17ClFN3S/c1-4-13-17-18-14(19(13)9(2)3)20-8-10-5-6-11(16)7-12(10)15/h5-7,9H,4,8H2,1-3H3