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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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