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

Systemtic Name: 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C14H17N5OS MolecularWeight: 303.38268

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCCCC#N)C2=CC=NC=C2

Isomeric SMILES

COCCN1C(=NN=C1SCCCC#N)C2=CC=NC=C2

InChI

InChI=1S/C14H17N5OS/c1-20-10-9-19-13(12-4-7-16-8-5-12)17-18-14(19)21-11-3-2-6-15/h4-5,7-8H,2-3,9-11H2,1H3