4-[(6-bromanyl-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(6-bromanyl-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(6-bromo-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(6-bromo-1H-benzimidazol-3-ium-2-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(6-bromo-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(6-bromo-1H-benzimidazol-3-ium-2-yl)thio]methyl]benzonitrile Formula: C15H11BrN3S+ MolecularWeight: 345.23694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=[NH+]C3=C(N2)C=C(C=C3)Br)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=[NH+]C3=C(N2)C=C(C=C3)Br)C#N

InChI

InChI=1S/C15H10BrN3S/c16-12-5-6-13-14(7-12)19-15(18-13)20-9-11-3-1-10(8-17)2-4-11/h1-7H,9H2,(H,18,19)/p+1