2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-(1-methylpyrazol-3-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-(1-methylpyrazol-3-yl)ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-(1-methyl-3-pyrazolyl)acetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-(1-methylpyrazol-3-yl)acetamide Formula: C14H16BrN3OS MolecularWeight: 354.26534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=NN(C=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NC2=NN(C=C2)C

InChI

InChI=1S/C14H16BrN3OS/c1-9-7-12(10(2)6-11(9)15)20-8-14(19)16-13-4-5-18(3)17-13/h4-7H,8H2,1-3H3,(H,16,17,19)