N-(2-cyano-3-methyl-butan-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5OS/c1-5-23-16(14-9-7-6-8-10-14)21-22-17(23)25-11-15(24)20-18(4,12-19)13(2)3/h6-10,13H,5,11H2,1-4H3,(H,20,24)