3-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[[2,6-bis(fluoranyl)phenyl]methylsulfanyl]-5-(3-chlorophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(3-chlorophenyl)-5-[(2,6-difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(3-chlorophenyl)-5-[(2,6-difluorophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(3-chlorophenyl)-5-[(2,6-difluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(3-chlorophenyl)-5-[(2,6-difluorobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C21H14ClF2N3S MolecularWeight: 413.870766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3F)F)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3F)F)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H14ClF2N3S/c22-15-7-4-6-14(12-15)20-25-26-21(27(20)16-8-2-1-3-9-16)28-13-17-18(23)10-5-11-19(17)24/h1-12H,13H2