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

Systemtic Name: 3-(4-fluorophenyl)-5-heptylsulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-(4-fluorophenyl)-5-heptylsulfanyl-1,2,4-triazol-4-amine CAS Name: 3-(4-fluorophenyl)-5-(heptylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-(4-fluorophenyl)-5-heptylsulfanyl-1,2,4-triazol-4-amine Traditional Name: [3-(4-fluorophenyl)-5-(heptylthio)-1,2,4-triazol-4-yl]amine Formula: C15H21FN4S MolecularWeight: 308.417443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NN=C(N1N)C2=CC=C(C=C2)F

Isomeric SMILES

CCCCCCCSC1=NN=C(N1N)C2=CC=C(C=C2)F

InChI

InChI=1S/C15H21FN4S/c1-2-3-4-5-6-11-21-15-19-18-14(20(15)17)12-7-9-13(16)10-8-12/h7-10H,2-6,11,17H2,1H3