3-[2-(oxan-2-ylmethylsulfanyl)benzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-(oxan-2-ylmethylsulfanyl)benzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-(tetrahydropyran-2-ylmethylsulfanyl)benzimidazol-1-yl]propanenitrile CAS Name: 3-[2-(2-oxanylmethylthio)-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-(oxan-2-ylmethylsulfanyl)benzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-(tetrahydropyran-2-ylmethylthio)benzimidazol-1-yl]propionitrile Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CSC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

C1CCOC(C1)CSC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C16H19N3OS/c17-9-5-10-19-15-8-2-1-7-14(15)18-16(19)21-12-13-6-3-4-11-20-13/h1-2,7-8,13H,3-6,10-12H2