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

Systemtic Name: 5-[2-(4-bromanylphenoxy)ethylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[2-(4-bromophenoxy)ethylsulfanyl]-N-isopropyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[2-(4-bromophenoxy)ethylthio]-N-propan-2-yl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[2-(4-bromophenoxy)ethylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[2-(4-bromophenoxy)ethylthio]-1,3,4-thiadiazol-2-yl]-isopropyl-amine Formula: C13H16BrN3OS2 MolecularWeight: 374.31964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SCCOC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)NC1=NN=C(S1)SCCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H16BrN3OS2/c1-9(2)15-12-16-17-13(20-12)19-8-7-18-11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,15,16)