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

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-phenethyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-phenethyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-methyl-5-phenethyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-methyl-5-phenethyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-4-methyl-5-phenethyl-1,2,4-triazole Formula: C18H18BrN3S MolecularWeight: 388.32462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)Br)CCC3=CC=CC=C3

InChI

InChI=1S/C18H18BrN3S/c1-22-17(12-9-14-5-3-2-4-6-14)20-21-18(22)23-13-15-7-10-16(19)11-8-15/h2-8,10-11H,9,12-13H2,1H3