5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-isopropyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-propan-2-yl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1,3,4-thiadiazol-2-yl]-isopropyl-amine Formula: C13H14BrN3O2S2 MolecularWeight: 388.30316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC(C)NC1=NN=C(S1)SCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C13H14BrN3O2S2/c1-7(2)15-12-16-17-13(21-12)20-5-8-3-10-11(4-9(8)14)19-6-18-10/h3-4,7H,5-6H2,1-2H3,(H,15,16)