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

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C10H9BrN4O2S MolecularWeight: 329.17306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=CN3N)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=CN3N)Br

InChI

InChI=1S/C10H9BrN4O2S/c11-7-2-9-8(16-5-17-9)1-6(7)3-18-10-14-13-4-15(10)12/h1-2,4H,3,5,12H2