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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCC#N)C2=CC=NC=C2

Isomeric SMILES

CN1C(=NN=C1SCCCC#N)C2=CC=NC=C2

InChI

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