3-(4-fluorophenyl)-5-pentylsulfanyl-1,2,4-triazol-4-amine

Systemtic Name: 3-(4-fluorophenyl)-5-pentylsulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-(4-fluorophenyl)-5-pentylsulfanyl-1,2,4-triazol-4-amine CAS Name: 3-(4-fluorophenyl)-5-(pentylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-(4-fluorophenyl)-5-pentylsulfanyl-1,2,4-triazol-4-amine Traditional Name: [3-(amylthio)-5-(4-fluorophenyl)-1,2,4-triazol-4-yl]amine Formula: C13H17FN4S MolecularWeight: 280.364283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NN=C(N1N)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCCSC1=NN=C(N1N)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H17FN4S/c1-2-3-4-9-19-13-17-16-12(18(13)15)10-5-7-11(14)8-6-10/h5-8H,2-4,9,15H2,1H3