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

Systemtic Name: N-(cyanomethyl)-4-methyl-2-[4-(1H-pyrazol-5-yl)phenyl]sulfanyl-pentanamide Openeye Name: N-(cyanomethyl)-4-methyl-2-[4-(1H-pyrazol-5-yl)phenyl]sulfanyl-pentanamide CAS Name: N-(cyanomethyl)-4-methyl-2-[[4-(1H-pyrazol-5-yl)phenyl]thio]pentanamide IUPAC Name: N-(cyanomethyl)-4-methyl-2-[4-(1H-pyrazol-5-yl)phenyl]sulfanylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(1H-pyrazol-5-yl)phenyl]thio]valeramide Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=NN2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CC=NN2

InChI

InChI=1S/C17H20N4OS/c1-12(2)11-16(17(22)19-10-8-18)23-14-5-3-13(4-6-14)15-7-9-20-21-15/h3-7,9,12,16H,10-11H2,1-2H3,(H,19,22)(H,20,21)