3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentanenitrile

Systemtic Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentanenitrile Openeye Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentanenitrile CAS Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)thio]pentanenitrile IUPAC Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]pentanenitrile Traditional Name: 3-[(6-methoxy-1H-benzimidazol-2-yl)thio]valeronitrile Formula: C13H15N3OS MolecularWeight: 261.3427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)SC1=NC2=C(N1)C=C(C=C2)OC

Isomeric SMILES

CCC(CC#N)SC1=NC2=C(N1)C=C(C=C2)OC

InChI

InChI=1S/C13H15N3OS/c1-3-10(6-7-14)18-13-15-11-5-4-9(17-2)8-12(11)16-13/h4-5,8,10H,3,6H2,1-2H3,(H,15,16)