N-[(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-fluoranyl-aniline

Systemtic Name: N-[(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-fluoranyl-aniline Openeye Name: N-[(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-aniline CAS Name: N-[[4-ethyl-5-(ethylthio)-1,2,4-triazol-3-yl]methyl]-4-fluoroaniline IUPAC Name: N-[(4-ethyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-fluoroaniline Traditional Name: [4-ethyl-5-(ethylthio)-1,2,4-triazol-3-yl]methyl-(4-fluorophenyl)amine Formula: C13H17FN4S MolecularWeight: 280.364283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC)CNC2=CC=C(C=C2)F

Isomeric SMILES

CCN1C(=NN=C1SCC)CNC2=CC=C(C=C2)F

InChI

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