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

Systemtic Name: 3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: 3-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: 3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: 3-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C11H11N5S MolecularWeight: 245.30354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC#N)C2=CC=NC=C2

Isomeric SMILES

CN1C(=NN=C1SCCC#N)C2=CC=NC=C2

InChI

InChI=1S/C11H11N5S/c1-16-10(9-3-6-13-7-4-9)14-15-11(16)17-8-2-5-12/h3-4,6-7H,2,8H2,1H3