N-(cyanomethyl)-2-[4-[4-(hydroxymethyl)phenyl]phenyl]sulfanyl-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[4-[4-(hydroxymethyl)phenyl]phenyl]sulfanyl-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[4-[4-(hydroxymethyl)phenyl]phenyl]sulfanyl-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[4-(hydroxymethyl)phenyl]phenyl]thio]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[4-[4-(hydroxymethyl)phenyl]phenyl]sulfanyl-4-methylpentanamide Traditional Name: N-(cyanomethyl)-4-methyl-2-[[4-(4-methylolphenyl)phenyl]thio]valeramide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S/c1-15(2)13-20(21(25)23-12-11-22)26-19-9-7-18(8-10-19)17-5-3-16(14-24)4-6-17/h3-10,15,20,24H,12-14H2,1-2H3,(H,23,25)