3-(1H-benzimidazol-2-ylsulfanyl)pentanenitrile

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)pentanenitrile Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)pentanenitrile CAS Name: 3-(1H-benzimidazol-2-ylthio)pentanenitrile IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)pentanenitrile Traditional Name: 3-(1H-benzimidazol-2-ylthio)valeronitrile Formula: C12H13N3S MolecularWeight: 231.31672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)SC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCC(CC#N)SC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C12H13N3S/c1-2-9(7-8-13)16-12-14-10-5-3-4-6-11(10)15-12/h3-6,9H,2,7H2,1H3,(H,14,15)