3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-fluorophenyl)methylthio]-5-cyclopropyl-4-methyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-cyclopropyl-4-methyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-fluoro-benzyl)thio]-5-cyclopropyl-4-methyl-1,2,4-triazole Formula: C13H13ClFN3S MolecularWeight: 297.778823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(C=C(C=C2)F)Cl)C3CC3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(C=C(C=C2)F)Cl)C3CC3

InChI

InChI=1S/C13H13ClFN3S/c1-18-12(8-2-3-8)16-17-13(18)19-7-9-4-5-10(15)6-11(9)14/h4-6,8H,2-3,7H2,1H3