3-(1-methylimidazol-2-yl)sulfanylpentanenitrile

Systemtic Name: 3-(1-methylimidazol-2-yl)sulfanylpentanenitrile Openeye Name: 3-(1-methylimidazol-2-yl)sulfanylpentanenitrile CAS Name: 3-[(1-methyl-2-imidazolyl)thio]pentanenitrile IUPAC Name: 3-(1-methylimidazol-2-yl)sulfanylpentanenitrile Traditional Name: 3-[(1-methylimidazol-2-yl)thio]valeronitrile Formula: C9H13N3S MolecularWeight: 195.28462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)SC1=NC=CN1C

Isomeric SMILES

CCC(CC#N)SC1=NC=CN1C

InChI

InChI=1S/C9H13N3S/c1-3-8(4-5-10)13-9-11-6-7-12(9)2/h6-8H,3-4H2,1-2H3