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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-[(4-ethylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-[(4-ethylphenoxy)methyl]-1,2,4-triazole Formula: C21H22BrN3OS MolecularWeight: 444.38788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3OS/c1-3-13-25-20(14-26-19-11-7-16(4-2)8-12-19)23-24-21(25)27-15-17-5-9-18(22)10-6-17/h3,5-12H,1,4,13-15H2,2H3