5-ethyl-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-ethyl-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-ethyl-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-ethyl-3-[(4-fluorophenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-ethyl-3-[(4-fluorophenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-ethyl-3-[(4-fluorobenzyl)thio]-1H-1,2,4-triazole Formula: C11H12FN3S MolecularWeight: 237.296483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=CC=C(C=C2)F

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC=C(C=C2)F

InChI

InChI=1S/C11H12FN3S/c1-2-10-13-11(15-14-10)16-7-8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,13,14,15)