S-[(2-ethanoyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)methyl] ethanethioate

Systemtic Name: S-[(2-ethanoyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)methyl] ethanethioate Openeye Name: S-[(2-acetyl-3-thioxo-1H-1,2,4-triazol-5-yl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(2-acetyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)methyl] ester IUPAC Name: S-[(2-acetyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(2-acetyl-3-thioxo-1H-1,2,4-triazol-5-yl)methyl] ester Formula: C7H9N3O2S2 MolecularWeight: 231.29526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=S)N=C(N1)CSC(=O)C

Isomeric SMILES

CC(=O)N1C(=S)N=C(N1)CSC(=O)C

InChI

InChI=1S/C7H9N3O2S2/c1-4(11)10-7(13)8-6(9-10)3-14-5(2)12/h3H2,1-2H3,(H,8,9,13)