2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid

Systemtic Name: 2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid Openeye Name: 2-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid CAS Name: 2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-1-cyclohexanecarboxylic acid IUPAC Name: 2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)cyclohexane-1-carboxylic acid Traditional Name: 2-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid Formula: C9H13N3O2S MolecularWeight: 227.28342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NC(=S)NN2)C(=O)O

Isomeric SMILES

C1CCC(C(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)