1-azanyl-2-(7-chloranylcinnolin-3-yl)carbothioyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-azanyl-2-(7-chloranylcinnolin-3-yl)carbothioyl-cyclohexane-1-carboxylic acid Openeye Name: 1-amino-2-(7-chlorocinnoline-3-carbothioyl)cyclohexanecarboxylic acid CAS Name: 1-amino-2-[(7-chloro-3-cinnolinyl)-sulfanylidenemethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-amino-2-(7-chlorocinnoline-3-carbothioyl)cyclohexane-1-carboxylic acid Traditional Name: 1-amino-2-(7-chlorocinnoline-3-carbothioyl)cyclohexanecarboxylic acid Formula: C16H16ClN3O2S MolecularWeight: 349.83514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=S)C2=NN=C3C=C(C=CC3=C2)Cl)(C(=O)O)N

Isomeric SMILES

C1CCC(C(C1)C(=S)C2=NN=C3C=C(C=CC3=C2)Cl)(C(=O)O)N

InChI

InChI=1S/C16H16ClN3O2S/c17-10-5-4-9-7-13(20-19-12(9)8-10)14(23)11-3-1-2-6-16(11,18)15(21)22/h4-5,7-8,11H,1-3,6,18H2,(H,21,22)