3-[4,4-bis(4-fluorophenyl)butylsulfanyl]-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-[4,4-bis(4-fluorophenyl)butylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[4,4-bis(4-fluorophenyl)butylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[4,4-bis(4-fluorophenyl)butylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[4,4-bis(4-fluorophenyl)butylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[4,4-bis(4-fluorophenyl)butylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C18H18F2N4S MolecularWeight: 360.424126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCCSC2=NNC(=N2)N)C3=CC=C(C=C3)F)F

Isomeric SMILES

C1=CC(=CC=C1C(CCCSC2=NNC(=N2)N)C3=CC=C(C=C3)F)F

InChI

InChI=1S/C18H18F2N4S/c19-14-7-3-12(4-8-14)16(13-5-9-15(20)10-6-13)2-1-11-25-18-22-17(21)23-24-18/h3-10,16H,1-2,11H2,(H3,21,22,23,24)