1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(4-cyclohexylphenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(4-cyclohexylphenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-cyclohexylphenyl)triazole-4-carboxylic acid CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-cyclohexylphenyl)-4-triazolecarboxylic acid IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-cyclohexylphenyl)triazole-4-carboxylic acid Traditional Name: 1-(4-aminofurazan-3-yl)-5-(4-cyclohexylphenyl)triazole-4-carboxylic acid Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C3=C(N=NN3C4=NON=C4N)C(=O)O

InChI

InChI=1S/C17H18N6O3/c18-15-16(21-26-20-15)23-14(13(17(24)25)19-22-23)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,18,20)(H,24,25)