2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetonitrile IUPAC Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C10H9N5S MolecularWeight: 231.27696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC#N)C2=CC=NC=C2

Isomeric SMILES

CN1C(=NN=C1SCC#N)C2=CC=NC=C2

InChI

InChI=1S/C10H9N5S/c1-15-9(8-2-5-12-6-3-8)13-14-10(15)16-7-4-11/h2-3,5-6H,7H2,1H3