(1S,2R)-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)cyclohexane-1-carboxylate

Systemtic Name: (1S,2R)-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)cyclohexanecarboxylate CAS Name: (1S,2R)-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)cyclohexanecarboxylate Formula: C9H12N3O2S- MolecularWeight: 226.27548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NC(=S)NN2)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C2=NC(=S)NN2)C(=O)[O-]

InChI

InChI=1S/C9H13N3O2S/c13-8(14)6-4-2-1-3-5(6)7-10-9(15)12-11-7/h5-6H,1-4H2,(H,13,14)(H2,10,11,12,15)/p-1/t5-,6+/m1/s1