(2S)-2-[(4-bromanylthiophen-2-yl)-phenyl-methyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: (2S)-2-[(4-bromanylthiophen-2-yl)-phenyl-methyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: (2S)-2-[(4-bromo-2-thienyl)-phenyl-methyl]sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: (2S)-2-[[(4-bromo-2-thiophenyl)-phenylmethyl]thio]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: (2S)-2-[(4-bromothiophen-2-yl)-phenylmethyl]sulfanyl-N-(cyanomethyl)-4-methylpentanamide Traditional Name: (2S)-2-[[(4-bromo-2-thienyl)-phenyl-methyl]thio]-N-(cyanomethyl)-4-methyl-valeramide Formula: C19H21BrN2OS2 MolecularWeight: 437.41684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)SC(C1=CC=CC=C1)C2=CC(=CS2)Br

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC#N)SC(C1=CC=CC=C1)C2=CC(=CS2)Br

InChI

InChI=1S/C19H21BrN2OS2/c1-13(2)10-17(19(23)22-9-8-21)25-18(14-6-4-3-5-7-14)16-11-15(20)12-24-16/h3-7,11-13,17-18H,9-10H2,1-2H3,(H,22,23)/t17-,18?/m0/s1