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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=CN1C2=CC=CC=C2

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NN=CN1C2=CC=CC=C2

InChI

InChI=1S/C17H21N5OS/c1-12(2)17(4,10-18)20-15(23)13(3)24-16-21-19-11-22(16)14-8-6-5-7-9-14/h5-9,11-13H,1-4H3,(H,20,23)