3-[2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]benzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]benzimidazol-1-yl]propionitrile Formula: C18H14BrN3O2S MolecularWeight: 416.29166

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=NC4=CC=CC=C4N3CCC#N)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=NC4=CC=CC=C4N3CCC#N)Br

InChI

InChI=1S/C18H14BrN3O2S/c19-13-9-17-16(23-11-24-17)8-12(13)10-25-18-21-14-4-1-2-5-15(14)22(18)7-3-6-20/h1-2,4-5,8-9H,3,7,10-11H2