1-[1-(2-cyano-2-hydroxyimino-ethyl)-1,2,4-triazol-4-ium-4-yl]-3-phenyl-urea chloride

Systemtic Name: 1-[1-(2-cyano-2-hydroxyimino-ethyl)-1,2,4-triazol-4-ium-4-yl]-3-phenyl-urea chloride Openeye Name: 1-[1-(2-cyano-2-hydroxyimino-ethyl)-1,2,4-triazol-4-ium-4-yl]-3-phenyl-urea chloride CAS Name: 1-[1-(2-cyano-2-hydroxyiminoethyl)-1,2,4-triazol-4-ium-4-yl]-3-phenylurea chloride IUPAC Name: 1-[1-(2-cyano-2-hydroxyiminoethyl)-1,2,4-triazol-4-ium-4-yl]-3-phenylurea chloride Traditional Name: 1-[1-(2-cyano-2-hydroximino-ethyl)-1,2,4-triazol-4-ium-4-yl]-3-phenyl-urea chloride Formula: C12H12ClN7O2 MolecularWeight: 321.72238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)N[N+]2=CN(N=C2)CC(=NO)C#N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)N[N+]2=CN(N=C2)CC(=NO)C#N.[Cl-]

InChI

InChI=1S/C12H11N7O2.ClH/c13-6-11(17-21)7-18-9-19(8-14-18)16-12(20)15-10-4-2-1-3-5-10;/h1-5,8-9H,7H2,(H2-,15,16,20,21);1H