1-[1-[(E)-2-cyano-2-(oxidanylamino)ethenyl]-1,2,4-triazol-4-ium-4-yl]-3-phenyl-urea

Systemtic Name: 1-[1-[(E)-2-cyano-2-(oxidanylamino)ethenyl]-1,2,4-triazol-4-ium-4-yl]-3-phenyl-urea Openeye Name: 1-[1-[(E)-2-cyano-2-(hydroxyamino)vinyl]-1,2,4-triazol-4-ium-4-yl]-3-phenyl-urea CAS Name: 1-[1-[(E)-2-cyano-2-(hydroxyamino)ethenyl]-1,2,4-triazol-4-ium-4-yl]-3-phenylurea IUPAC Name: 1-[1-[(E)-2-cyano-2-(hydroxyamino)ethenyl]-1,2,4-triazol-4-ium-4-yl]-3-phenylurea Traditional Name: 1-[1-[(E)-2-cyano-2-(hydroxyamino)vinyl]-1,2,4-triazol-4-ium-4-yl]-3-phenyl-urea Formula: C12H12N7O2+ MolecularWeight: 286.26938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)N[N+]2=CN(N=C2)/C=C(\C#N)/NO

InChI

InChI=1S/C12H11N7O2/c13-6-11(17-21)7-18-9-19(8-14-18)16-12(20)15-10-4-2-1-3-5-10/h1-5,7-9,17,21H,(H-,15,16,20)/p+1/b11-7+