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

Systemtic Name: N-(cyanomethyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N(CC#N)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N5OS/c1-2-25-19(15-17-9-5-3-6-10-17)23-24-21(25)28-16-20(27)26(14-13-22)18-11-7-4-8-12-18/h3-12H,2,14-16H2,1H3