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

Systemtic Name: 5-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-N-butyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-N-butyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1,3,4-thiadiazol-2-yl]-butyl-amine Formula: C14H16BrN3O2S2 MolecularWeight: 402.32974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C14H16BrN3O2S2/c1-2-3-4-16-13-17-18-14(22-13)21-7-9-5-11-12(6-10(9)15)20-8-19-11/h5-6H,2-4,7-8H2,1H3,(H,16,17)