3-[2-(4-chloranylphenoxy)ethylsulfanyl]-5-(4-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-chloranylphenoxy)ethylsulfanyl]-5-(4-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazole CAS Name: 3-[2-(4-chlorophenoxy)ethylthio]-5-(4-fluorophenyl)-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[2-(4-chlorophenoxy)ethylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazole Traditional Name: 4-benzyl-3-[2-(4-chlorophenoxy)ethylthio]-5-(4-fluorophenyl)-1,2,4-triazole Formula: C23H19ClFN3OS MolecularWeight: 439.932863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCOC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCOC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H19ClFN3OS/c24-19-8-12-21(13-9-19)29-14-15-30-23-27-26-22(18-6-10-20(25)11-7-18)28(23)16-17-4-2-1-3-5-17/h1-13H,14-16H2