N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-prop-2-ynyl-ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-N-prop-2-ynyl-ethanamide Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynyl-acetamide CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-N-(1,1-dioxo-3-thiolanyl)-N-prop-2-ynylacetamide IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-prop-2-ynylacetamide Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-N-(1,1-diketothiolan-3-yl)-N-propargyl-acetamide Formula: C17H20BrNO3S2 MolecularWeight: 430.3796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N(CC#C)C2CCS(=O)(=O)C2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N(CC#C)C2CCS(=O)(=O)C2

InChI

InChI=1S/C17H20BrNO3S2/c1-4-6-19(14-5-7-24(21,22)11-14)17(20)10-23-16-9-12(2)15(18)8-13(16)3/h1,8-9,14H,5-7,10-11H2,2-3H3