4,4,4-tris(fluoranyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-amine

Systemtic Name: 4,4,4-tris(fluoranyl)-3-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-amine Openeye Name: 4,4,4-trifluoro-3-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-amine CAS Name: 4,4,4-trifluoro-3-(1H-1,2,4-triazol-5-ylthio)-1-butanamine IUPAC Name: 4,4,4-trifluoro-3-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-amine Traditional Name: [4,4,4-trifluoro-3-(1H-1,2,4-triazol-5-ylthio)butyl]amine Formula: C6H9F3N4S MolecularWeight: 226.22267

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=N1)SC(CCN)C(F)(F)F

Isomeric SMILES

C1=NNC(=N1)SC(CCN)C(F)(F)F

InChI

InChI=1S/C6H9F3N4S/c7-6(8,9)4(1-2-10)14-5-11-3-12-13-5/h3-4H,1-2,10H2,(H,11,12,13)