2-(4-bromanyl-5-methyl-2-phenyl-pyrazol-3-yl)sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-(4-bromanyl-5-methyl-2-phenyl-pyrazol-3-yl)sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-(4-bromo-5-methyl-2-phenyl-pyrazol-3-yl)sulfanyl-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[(4-bromo-5-methyl-2-phenyl-3-pyrazolyl)thio]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-(4-bromo-5-methyl-2-phenylpyrazol-3-yl)sulfanyl-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[(4-bromo-5-methyl-2-phenyl-pyrazol-3-yl)thio]-N-(cyanomethyl)-4-methyl-valeramide Formula: C18H21BrN4OS MolecularWeight: 421.35454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)SC(CC(C)C)C(=O)NCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1Br)SC(CC(C)C)C(=O)NCC#N)C2=CC=CC=C2

InChI

InChI=1S/C18H21BrN4OS/c1-12(2)11-15(17(24)21-10-9-20)25-18-16(19)13(3)22-23(18)14-7-5-4-6-8-14/h4-8,12,15H,10-11H2,1-3H3,(H,21,24)