3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-propyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-propyl-1,2,4-triazole Openeye Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-propyl-1,2,4-triazole CAS Name: 3-[(3-bromophenyl)methylthio]-4-ethyl-5-propyl-1,2,4-triazole IUPAC Name: 3-[(3-bromophenyl)methylsulfanyl]-4-ethyl-5-propyl-1,2,4-triazole Traditional Name: 3-[(3-bromobenzyl)thio]-4-ethyl-5-propyl-1,2,4-triazole Formula: C14H18BrN3S MolecularWeight: 340.28182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC)SCC2=CC(=CC=C2)Br

Isomeric SMILES

CCCC1=NN=C(N1CC)SCC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H18BrN3S/c1-3-6-13-16-17-14(18(13)4-2)19-10-11-7-5-8-12(15)9-11/h5,7-9H,3-4,6,10H2,1-2H3