S-[(5-ethynyl-2-methyl-3-oxidanyl-pyridin-4-yl)methyl] N,N-dimethylcarbamothioate

Systemtic Name: S-[(5-ethynyl-2-methyl-3-oxidanyl-pyridin-4-yl)methyl] N,N-dimethylcarbamothioate Openeye Name: S-[(5-ethynyl-3-hydroxy-2-methyl-4-pyridyl)methyl] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[(5-ethynyl-3-hydroxy-2-methyl-4-pyridinyl)methyl] ester IUPAC Name: S-[(5-ethynyl-3-hydroxy-2-methylpyridin-4-yl)methyl] N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[(5-ethynyl-3-hydroxy-2-methyl-4-pyridyl)methyl] ester Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CSC(=O)N(C)C)C#C

Isomeric SMILES

CC1=NC=C(C(=C1O)CSC(=O)N(C)C)C#C

InChI

InChI=1S/C12H14N2O2S/c1-5-9-6-13-8(2)11(15)10(9)7-17-12(16)14(3)4/h1,6,15H,7H2,2-4H3