3-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-5-phenyl-1H-1,2,4-triazole

Systemtic Name: 3-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[(2,3-difluorophenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(2,3-difluorophenyl)methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[(2,3-difluorophenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(2,3-difluorobenzyl)thio]-5-phenyl-1H-1,2,4-triazole Formula: C15H11F2N3S MolecularWeight: 303.329746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C(=CC=C3)F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(C(=CC=C3)F)F

InChI

InChI=1S/C15H11F2N3S/c16-12-8-4-7-11(13(12)17)9-21-15-18-14(19-20-15)10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19,20)