3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[2-(4-bromophenoxy)ethylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-bromophenoxy)ethylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[2-(4-bromophenoxy)ethylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C14H18BrN3O3S MolecularWeight: 388.28002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCCOC2=CC=C(C=C2)Br

Isomeric SMILES

COCCCN1C(=O)NN=C1SCCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H18BrN3O3S/c1-20-8-2-7-18-13(19)16-17-14(18)22-10-9-21-12-5-3-11(15)4-6-12/h3-6H,2,7-10H2,1H3,(H,16,19)