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

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-4-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazole Openeye Name: 3-[(3,4-difluorophenyl)methylsulfanyl]-4-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazole CAS Name: 3-[(3,4-difluorophenyl)methylthio]-4-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazole IUPAC Name: 3-[(3,4-difluorophenyl)methylsulfanyl]-4-[(4-fluorophenyl)methyl]-5-(trifluoromethyl)-1,2,4-triazole Traditional Name: 3-[(3,4-difluorobenzyl)thio]-4-(4-fluorobenzyl)-5-(trifluoromethyl)-1,2,4-triazole Formula: C17H11F6N3S MolecularWeight: 403.344759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=NN=C2SCC3=CC(=C(C=C3)F)F)C(F)(F)F)F

Isomeric SMILES

C1=CC(=CC=C1CN2C(=NN=C2SCC3=CC(=C(C=C3)F)F)C(F)(F)F)F

InChI

InChI=1S/C17H11F6N3S/c18-12-4-1-10(2-5-12)8-26-15(17(21,22)23)24-25-16(26)27-9-11-3-6-13(19)14(20)7-11/h1-7H,8-9H2