1-[3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonyl]propyl]-1,2,4-triazole

Systemtic Name: 1-[3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonyl]propyl]-1,2,4-triazole Openeye Name: 1-[3-[(2-chloro-4-fluoro-phenyl)methylsulfonyl]propyl]-1,2,4-triazole CAS Name: 1-[3-[(2-chloro-4-fluorophenyl)methylsulfonyl]propyl]-1,2,4-triazole IUPAC Name: 1-[3-[(2-chloro-4-fluorophenyl)methylsulfonyl]propyl]-1,2,4-triazole Traditional Name: 1-[3-(2-chloro-4-fluoro-benzyl)sulfonylpropyl]-1,2,4-triazole Formula: C12H13ClFN3O2S MolecularWeight: 317.766923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Cl)CS(=O)(=O)CCCN2C=NC=N2

Isomeric SMILES

C1=CC(=C(C=C1F)Cl)CS(=O)(=O)CCCN2C=NC=N2

InChI

InChI=1S/C12H13ClFN3O2S/c13-12-6-11(14)3-2-10(12)7-20(18,19)5-1-4-17-9-15-8-16-17/h2-3,6,8-9H,1,4-5,7H2