S-methyl 2-(3-nitro-1,2,4-triazol-1-yl)ethanethioate

Systemtic Name: S-methyl 2-(3-nitro-1,2,4-triazol-1-yl)ethanethioate Openeye Name: S-methyl 2-(3-nitro-1,2,4-triazol-1-yl)ethanethioate CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)ethanethioic acid S-methyl ester IUPAC Name: S-methyl 2-(3-nitro-1,2,4-triazol-1-yl)ethanethioate Traditional Name: 2-(3-nitro-1,2,4-triazol-1-yl)ethanethioic acid S-methyl ester Formula: C5H6N4O3S MolecularWeight: 202.19114

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)CN1C=NC(=N1)[N+](=O)[O-]

Isomeric SMILES

CSC(=O)CN1C=NC(=N1)[N+](=O)[O-]

InChI

InChI=1S/C5H6N4O3S/c1-13-4(10)2-8-3-6-5(7-8)9(11)12/h3H,2H2,1H3