2-[[4-[2,4-bis(fluoranyl)phenyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine

Systemtic Name: 2-[[4-[2,4-bis(fluoranyl)phenyl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine Openeye Name: 2-[[4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine CAS Name: 2-[[4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethanamine IUPAC Name: 2-[[4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamine Traditional Name: 2-[[4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]ethylamine Formula: C16H14F2N4S MolecularWeight: 332.370966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=C(C=C(C=C3)F)F)SCCN

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=C(C=C(C=C3)F)F)SCCN

InChI

InChI=1S/C16H14F2N4S/c17-12-6-7-14(13(18)10-12)22-15(11-4-2-1-3-5-11)20-21-16(22)23-9-8-19/h1-7,10H,8-9,19H2