3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-(3-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-(3-chlorophenyl)-5-[(3-fluorobenzyl)thio]-4-phenyl-1,2,4-triazole Formula: C21H15ClFN3S MolecularWeight: 395.880303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)F)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)F)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H15ClFN3S/c22-17-8-5-7-16(13-17)20-24-25-21(26(20)19-10-2-1-3-11-19)27-14-15-6-4-9-18(23)12-15/h1-13H,14H2