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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)CC#N)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)CC#N)C3=CC=NC=C3

InChI

InChI=1S/C19H18N6OS/c1-2-25-18(15-8-11-21-12-9-15)23-24-19(25)27-13-17(26)22-16-5-3-14(4-6-16)7-10-20/h3-6,8-9,11-12H,2,7,13H2,1H3,(H,22,26)