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

Systemtic Name: N-(cyanomethyl)-2-[4-(1H-imidazol-5-yl)phenyl]sulfanyl-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[4-(1H-imidazol-5-yl)phenyl]sulfanyl-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-(1H-imidazol-5-yl)phenyl]thio]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[4-(1H-imidazol-5-yl)phenyl]sulfanyl-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-(1H-imidazol-5-yl)phenyl]thio]-4-methyl-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=CN=CN2

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)SC1=CC=C(C=C1)C2=CN=CN2

InChI

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