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

Systemtic Name: N-(cyanomethyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C17H21N5OS/c1-2-3-7-11-21-14-19-20-17(21)24-13-16(23)22(12-10-18)15-8-5-4-6-9-15/h4-6,8-9,14H,2-3,7,11-13H2,1H3