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

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-fluorophenyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(2-fluorophenyl)-1,2,4-triazol-4-yl]amine Formula: C16H12BrFN4O2S MolecularWeight: 423.259483

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(N3N)C4=CC=CC=C4F)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NN=C(N3N)C4=CC=CC=C4F)Br

InChI

InChI=1S/C16H12BrFN4O2S/c17-11-6-14-13(23-8-24-14)5-9(11)7-25-16-21-20-15(22(16)19)10-3-1-2-4-12(10)18/h1-6H,7-8,19H2