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

Systemtic Name: 3-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2,3-difluorophenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2,3-difluorophenyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2,3-difluorophenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2,3-difluorobenzyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C17H15F2N3OS MolecularWeight: 347.382306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=C(C(=CC=C3)F)F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=C(C(=CC=C3)F)F

InChI

InChI=1S/C17H15F2N3OS/c18-14-8-4-7-13(15(14)19)11-24-17-21-20-16(23)22(17)10-9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,20,23)