S-[(5-ethynyl-2-methyl-3-oxidanyl-pyridin-4-yl)methyl] cyclopropanecarbothioate

Systemtic Name: S-[(5-ethynyl-2-methyl-3-oxidanyl-pyridin-4-yl)methyl] cyclopropanecarbothioate Openeye Name: S-[(5-ethynyl-3-hydroxy-2-methyl-4-pyridyl)methyl] cyclopropanecarbothioate CAS Name: cyclopropanecarbothioic acid S-[(5-ethynyl-3-hydroxy-2-methyl-4-pyridinyl)methyl] ester IUPAC Name: S-[(5-ethynyl-3-hydroxy-2-methylpyridin-4-yl)methyl] cyclopropanecarbothioate Traditional Name: cyclopropanecarbothioic acid S-[(5-ethynyl-3-hydroxy-2-methyl-4-pyridyl)methyl] ester Formula: C13H13NO2S MolecularWeight: 247.31282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CSC(=O)C2CC2)C#C

Isomeric SMILES

CC1=NC=C(C(=C1O)CSC(=O)C2CC2)C#C

InChI

InChI=1S/C13H13NO2S/c1-3-9-6-14-8(2)12(15)11(9)7-17-13(16)10-4-5-10/h1,6,10,15H,4-5,7H2,2H3