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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-bromophenyl)methylsulfanyl]-5-(m-tolyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-bromobenzyl)thio]-5-(m-tolyl)-1,2,4-triazole Formula: C19H18BrN3S MolecularWeight: 400.33532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3S/c1-3-11-23-18(16-6-4-5-14(2)12-16)21-22-19(23)24-13-15-7-9-17(20)10-8-15/h3-10,12H,1,11,13H2,2H3