3-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]methylsulfanyl]propanenitrile

Systemtic Name: 3-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]methylsulfanyl]propanenitrile Openeye Name: 3-[[2-(1-piperidylmethyl)-3H-benzimidazol-5-yl]methylsulfanyl]propanenitrile CAS Name: 3-[[2-(1-piperidinylmethyl)-3H-benzimidazol-5-yl]methylthio]propanenitrile IUPAC Name: 3-[[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]methylsulfanyl]propanenitrile Traditional Name: 3-[[2-(piperidinomethyl)-3H-benzimidazol-5-yl]methylthio]propionitrile Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NC3=C(N2)C=C(C=C3)CSCCC#N

Isomeric SMILES

C1CCN(CC1)CC2=NC3=C(N2)C=C(C=C3)CSCCC#N

InChI

InChI=1S/C17H22N4S/c18-7-4-10-22-13-14-5-6-15-16(11-14)20-17(19-15)12-21-8-2-1-3-9-21/h5-6,11H,1-4,8-10,12-13H2,(H,19,20)