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

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(2,6-dichlorophenyl)methylthio]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(2,6-dichlorophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2,6-dichlorobenzyl)thio]-5-(2-fluorophenyl)-4-phenyl-1,2,4-triazole Formula: C21H14Cl2FN3S MolecularWeight: 430.325363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)Cl)C4=CC=CC=C4F

InChI

InChI=1S/C21H14Cl2FN3S/c22-17-10-6-11-18(23)16(17)13-28-21-26-25-20(15-9-4-5-12-19(15)24)27(21)14-7-2-1-3-8-14/h1-12H,13H2