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

Systemtic Name: N-(cyanomethyl)-2-[4-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]phenyl]sulfanyl-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[4-[5-(2-hydroxyethyl)-4-methyl-thiazol-2-yl]phenyl]sulfanyl-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[[4-[5-(2-hydroxyethyl)-4-methyl-2-thiazolyl]phenyl]thio]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[4-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]phenyl]sulfanyl-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[[4-[5-(2-hydroxyethyl)-4-methyl-thiazol-2-yl]phenyl]thio]-4-methyl-valeramide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)SC(CC(C)C)C(=O)NCC#N)CCO

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)SC(CC(C)C)C(=O)NCC#N)CCO

InChI

InChI=1S/C20H25N3O2S2/c1-13(2)12-18(19(25)22-10-9-21)26-16-6-4-15(5-7-16)20-23-14(3)17(27-20)8-11-24/h4-7,13,18,24H,8,10-12H2,1-3H3,(H,22,25)