3-[(4-bromophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(2-fluorophenyl)-4-phenethyl-1,2,4-triazole Formula: C23H19BrFN3S MolecularWeight: 468.384463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CC=C4F

InChI

InChI=1S/C23H19BrFN3S/c24-19-12-10-18(11-13-19)16-29-23-27-26-22(20-8-4-5-9-21(20)25)28(23)15-14-17-6-2-1-3-7-17/h1-13H,14-16H2