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

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(3,4-difluorophenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(3,4-difluorophenyl)methylthio]-5-methyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(3,4-difluorophenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(3,4-difluorobenzyl)thio]-5-methyl-4-phenyl-1,2,4-triazole Formula: C16H13F2N3S MolecularWeight: 317.356326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=C(C=C3)F)F

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C16H13F2N3S/c1-11-19-20-16(21(11)13-5-3-2-4-6-13)22-10-12-7-8-14(17)15(18)9-12/h2-9H,10H2,1H3