3-[2-[2-(4-bromanylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[2-(4-bromanylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[2-(4-bromophenoxy)ethylsulfanyl]benzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[2-(4-bromophenoxy)ethylthio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[2-(4-bromophenoxy)ethylsulfanyl]benzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[2-(4-bromophenoxy)ethylthio]benzimidazol-1-yl]propionitrile Formula: C18H16BrN3OS MolecularWeight: 402.30814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CCC#N)SCCOC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CCC#N)SCCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3OS/c19-14-6-8-15(9-7-14)23-12-13-24-18-21-16-4-1-2-5-17(16)22(18)11-3-10-20/h1-2,4-9H,3,11-13H2