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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-imidazol-1-amine Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenyl-imidazol-1-amine CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-phenyl-1-imidazolamine IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-4-phenylimidazol-1-amine Traditional Name: [2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-4-phenyl-imidazol-1-yl]amine Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC(=CN3N)C4=CC=CC=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC(=CN3N)C4=CC=CC=C4)Br

InChI

InChI=1S/C17H14BrN3O2S/c18-13-7-16-15(22-10-23-16)6-12(13)9-24-17-20-14(8-21(17)19)11-4-2-1-3-5-11/h1-8H,9-10,19H2