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

Systemtic Name: 3-[bis(fluoranyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole Openeye Name: 3-(difluoromethylsulfanyl)-4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole CAS Name: 3-(difluoromethylthio)-4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole IUPAC Name: 3-(difluoromethylsulfanyl)-4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole Traditional Name: 3-(difluoromethylthio)-4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole Formula: C16H13F2N3OS MolecularWeight: 333.355726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SC(F)F)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SC(F)F)C3=CC=CC=C3

InChI

InChI=1S/C16H13F2N3OS/c1-22-13-9-7-12(8-10-13)21-14(11-5-3-2-4-6-11)19-20-16(21)23-15(17)18/h2-10,15H,1H3