3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile

Systemtic Name: 3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 3-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 3-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C12H13N5S MolecularWeight: 259.33012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC#N)C2=CC=NC=C2

Isomeric SMILES

CCN1C(=NN=C1SCCC#N)C2=CC=NC=C2

InChI

InChI=1S/C12H13N5S/c1-2-17-11(10-4-7-14-8-5-10)15-16-12(17)18-9-3-6-13/h4-5,7-8H,2-3,9H2,1H3