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

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(3-bromophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(3-bromobenzyl)thio]-5-(2-methoxyphenyl)-1,2,4-triazole Formula: C19H18BrN3OS MolecularWeight: 416.33472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H18BrN3OS/c1-3-11-23-18(16-9-4-5-10-17(16)24-2)21-22-19(23)25-13-14-7-6-8-15(20)12-14/h3-10,12H,1,11,13H2,2H3