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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-[(3-methylphenoxy)methyl]-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-[(3-methylphenoxy)methyl]-1,2,4-triazole Formula: C20H20BrN3OS MolecularWeight: 430.3613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3OS/c1-3-11-24-19(13-25-18-6-4-5-15(2)12-18)22-23-20(24)26-14-16-7-9-17(21)10-8-16/h3-10,12H,1,11,13-14H2,2H3