2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-prop-2-ynyl-acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-prop-2-ynylacetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-prop-2-ynylacetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-propargyl-acetamide Formula: C13H14BrNOS MolecularWeight: 312.22536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC#C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)NCC#C

InChI

InChI=1S/C13H14BrNOS/c1-4-5-15-13(16)8-17-12-7-9(2)11(14)6-10(12)3/h1,6-7H,5,8H2,2-3H3,(H,15,16)