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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazole Formula: C24H21ClFN3OS MolecularWeight: 453.959443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C24H21ClFN3OS/c1-30-19-12-10-18(11-13-19)23-27-28-24(29(23)15-14-17-6-3-2-4-7-17)31-16-20-21(25)8-5-9-22(20)26/h2-13H,14-16H2,1H3