N-(cyanomethyl)-4-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]valeramide Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C16H19N5OS/c1-11(2)10-13(15(22)18-9-8-17)23-16-19-14(20-21-16)12-6-4-3-5-7-12/h3-7,11,13H,9-10H2,1-2H3,(H,18,22)(H,19,20,21)