S-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)methyl] ethanethioate

Systemtic Name: S-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)methyl] ethanethioate Openeye Name: S-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)methyl] ester IUPAC Name: S-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)methyl] ethanethioate Traditional Name: ethanethioic acid S-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)methyl] ester Formula: C7H12N3OS+ MolecularWeight: 186.25468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=[N+](C=NN1C)C

Isomeric SMILES

CC(=O)SCC1=[N+](C=NN1C)C

InChI

InChI=1S/C7H12N3OS/c1-6(11)12-4-7-9(2)5-8-10(7)3/h5H,4H2,1-3H3/q+1