3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-(1-naphthylmethyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-methyl-5-(1-naphthalenylmethyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-methyl-5-(1-naphthylmethyl)-1,2,4-triazole Formula: C21H18BrN3S MolecularWeight: 424.35672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H18BrN3S/c1-25-20(13-17-7-4-6-16-5-2-3-8-19(16)17)23-24-21(25)26-14-15-9-11-18(22)12-10-15/h2-12H,13-14H2,1H3