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

Systemtic Name: 3-(4-fluorophenyl)-5-phenethylsulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-(4-fluorophenyl)-5-phenethylsulfanyl-1,2,4-triazol-4-amine CAS Name: 3-(4-fluorophenyl)-5-(phenethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-(4-fluorophenyl)-5-phenethylsulfanyl-1,2,4-triazol-4-amine Traditional Name: [3-(4-fluorophenyl)-5-(phenethylthio)-1,2,4-triazol-4-yl]amine Formula: C16H15FN4S MolecularWeight: 314.380503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NN=C(N2N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NN=C(N2N)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H15FN4S/c17-14-8-6-13(7-9-14)15-19-20-16(21(15)18)22-11-10-12-4-2-1-3-5-12/h1-9H,10-11,18H2