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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-phenyl-5-(p-tolyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-phenyl-5-(p-tolyl)-1,2,4-triazole Formula: C22H18BrN3S MolecularWeight: 436.36742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrN3S/c1-16-7-11-18(12-8-16)21-24-25-22(26(21)20-5-3-2-4-6-20)27-15-17-9-13-19(23)14-10-17/h2-14H,15H2,1H3