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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazole Formula: C22H17ClFN3S2 MolecularWeight: 441.971883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)F)CSC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=C(C=CC=C3Cl)F)CSC4=CC=CC=C4

InChI

InChI=1S/C22H17ClFN3S2/c23-19-12-7-13-20(24)18(19)14-29-22-26-25-21(15-28-17-10-5-2-6-11-17)27(22)16-8-3-1-4-9-16/h1-13H,14-15H2