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

Systemtic Name: N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-4-fluoranyl-aniline Openeye Name: N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-4-fluoro-aniline CAS Name: N-[[5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-4-fluoroaniline IUPAC Name: N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-4-fluoroaniline Traditional Name: [5-(ethylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl-(4-fluorophenyl)amine Formula: C17H17FN4S MolecularWeight: 328.407083

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C2=CC=CC=C2)CNC3=CC=C(C=C3)F

Isomeric SMILES

CCSC1=NN=C(N1C2=CC=CC=C2)CNC3=CC=C(C=C3)F

InChI

InChI=1S/C17H17FN4S/c1-2-23-17-21-20-16(22(17)15-6-4-3-5-7-15)12-19-14-10-8-13(18)9-11-14/h3-11,19H,2,12H2,1H3