3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methyl-propanenitrile

Systemtic Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methyl-propanenitrile Openeye Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methyl-propanenitrile CAS Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-2-methylpropanenitrile IUPAC Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropanenitrile Traditional Name: 3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-2-methyl-propionitrile Formula: C13H15N3OS MolecularWeight: 261.3427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(C)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(C)C#N

InChI

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