(2S)-2-(5-sulfanylidene-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (2S)-2-(5-sulfanylidene-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic acid Openeye Name: (2S)-2-(5-thioxo-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic acid CAS Name: (2S)-2-(5-sulfanylidene-1,2,4-triazol-3-yl)-1-cyclohex-3-enecarboxylic acid IUPAC Name: (2S)-2-(5-sulfanylidene-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (2S)-2-(5-thioxo-1,2,4-triazol-3-yl)cyclohex-3-ene-1-carboxylic acid Formula: C9H9N3O2S MolecularWeight: 223.25166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C=C1)C2=NC(=S)N=N2)C(=O)O

Isomeric SMILES

C1CC([C@H](C=C1)C2=NC(=S)N=N2)C(=O)O

InChI

InChI=1S/C9H9N3O2S/c13-8(14)6-4-2-1-3-5(6)7-10-9(15)12-11-7/h1,3,5-6H,2,4H2,(H,13,14)/t5-,6?/m0/s1