N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H20N6OS2 MolecularWeight: 424.5424

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2SCC#N)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2SCC#N)C3=CC=NC=C3

InChI

InChI=1S/C20H20N6OS2/c1-2-12-26-19(15-7-10-22-11-8-15)24-25-20(26)29-14-18(27)23-16-5-3-4-6-17(16)28-13-9-21/h3-8,10-11H,2,12-14H2,1H3,(H,23,27)