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

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H18N6OS2 MolecularWeight: 410.51582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2SCC#N)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2SCC#N)C3=CC=NC=C3

InChI

InChI=1S/C19H18N6OS2/c1-2-25-18(14-7-10-21-11-8-14)23-24-19(25)28-13-17(26)22-15-5-3-4-6-16(15)27-12-9-20/h3-8,10-11H,2,12-13H2,1H3,(H,22,26)