5-[2-(3-bromanylphenoxy)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[2-(3-bromanylphenoxy)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[2-(3-bromophenoxy)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[2-(3-bromophenoxy)ethylthio]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[2-(3-bromophenoxy)ethylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[2-(3-bromophenoxy)ethylthio]-1,3,4-thiadiazol-2-yl]-(4-methoxyphenyl)amine Formula: C17H16BrN3O2S2 MolecularWeight: 438.36184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN=C(S2)SCCOC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN=C(S2)SCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H16BrN3O2S2/c1-22-14-7-5-13(6-8-14)19-16-20-21-17(25-16)24-10-9-23-15-4-2-3-12(18)11-15/h2-8,11H,9-10H2,1H3,(H,19,20)