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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-(4-fluorophenyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-(4-fluorophenyl)-1,2,4-triazole Formula: C18H15BrFN3S MolecularWeight: 404.299203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=C(C=C3)F

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H15BrFN3S/c1-2-11-23-17(14-5-9-16(20)10-6-14)21-22-18(23)24-12-13-3-7-15(19)8-4-13/h2-10H,1,11-12H2