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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NN=CN1C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NN=CN1C2=CC=CC=C2

InChI

InChI=1S/C16H19N5OS/c1-12(2)16(3,10-17)19-14(22)9-23-15-20-18-11-21(15)13-7-5-4-6-8-13/h4-8,11-12H,9H2,1-3H3,(H,19,22)