3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pentanenitrile

Systemtic Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pentanenitrile Openeye Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pentanenitrile CAS Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]pentanenitrile IUPAC Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]pentanenitrile Traditional Name: 3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]valeronitrile Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)SC1=NN=C(N1C2CC2)C3CC3

Isomeric SMILES

CCC(CC#N)SC1=NN=C(N1C2CC2)C3CC3

InChI

InChI=1S/C13H18N4S/c1-2-11(7-8-14)18-13-16-15-12(9-3-4-9)17(13)10-5-6-10/h9-11H,2-7H2,1H3